# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'La43Ni17Mg5'
_chemical_formula_sum 'La43 Mg5 Ni17'

loop_
_publ_author_name
 'P. Solokha'
 'S. {De Negri}'
 'V. Pavlyuk'
 'A. Saccone'
_journal_name_full_name
;
 Inorganic Chemistry
;
_journal_volume 48
_journal_year 2009
_journal_page_first 11586
_journal_page_last 11593
_publ_Section_title
;
 Anti-Mackay Polyicosahedral Clusters in {La-Ni-Mg} Ternary Compounds: Synthesis and Crystal Structure of the La$_{43}$Ni$_{17}$Mg$_{5}$ New Intermetallic Phase
;

_aflow_title 'La$_{43}$Ni$_{17}$Mg$_{5}$ Structure'
_aflow_proto 'A43B5C17_oC260_63_c8fg6h_cfg_ce3f2h'
_aflow_params 'a,b/a,c/a,y_{1},y_{2},y_{3},x_{4},y_{5},z_{5},y_{6},z_{6},y_{7},z_{7},y_{8},z_{8},y_{9},z_{9},y_{10},z_{10},y_{11},z_{11},y_{12},z_{12},y_{13},z_{13},y_{14},z_{14},y_{15},z_{15},y_{16},z_{16},x_{17},y_{17},x_{18},y_{18},x_{19},y_{19},z_{19},x_{20},y_{20},z_{20},x_{21},y_{21},z_{21},x_{22},y_{22},z_{22},x_{23},y_{23},z_{23},x_{24},y_{24},z_{24},x_{25},y_{25},z_{25},x_{26},y_{26},z_{26}'
_aflow_params_values '10.11895,1.73974572461,4.16742843872,0.38998,0.0432,0.5987,0.1275,0.13992,0.17412,0.7278,0.20648,0.19723,0.62632,0.1388,0.02884,0.39065,0.0988,0.06788,0.55569,0.59876,0.1328,0.28079,0.54761,0.0678,0.6912,0.07797,0.09224,0.45337,0.1675,0.43146,0.0091,0.18607,0.20422,0.3338,0.3774,0.18828,0.32898,0.174,0.19344,0.2014,0.10123,0.30731,0.03499,0.20655,0.30495,0.49596,0.12681,0.19578,0.33018,0.026,0.31697,0.03483,0.04522,0.2812,0.17213,0.16828,0.2807,0.35936,0.09067'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oC260'

_symmetry_space_group_name_H-M "C 2/m 2/c 21/m"
_symmetry_Int_Tables_number 63
 
_cell_length_a    10.11895
_cell_length_b    17.60440
_cell_length_c    42.17000
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x,y,-z+1/2
4 -x,-y,z+1/2
5 -x,-y,-z
6 -x,y,z
7 x,-y,z+1/2
8 x,y,-z+1/2
9 x+1/2,y+1/2,z
10 x+1/2,-y+1/2,-z
11 -x+1/2,y+1/2,-z+1/2
12 -x+1/2,-y+1/2,z+1/2
13 -x+1/2,-y+1/2,-z
14 -x+1/2,y+1/2,z
15 x+1/2,-y+1/2,z+1/2
16 x+1/2,y+1/2,-z+1/2
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La1  La   4 c 0.00000 0.38998 0.25000 1.00000
Mg1  Mg   4 c 0.00000 0.04320 0.25000 1.00000
Ni1  Ni   4 c 0.00000 0.59870 0.25000 1.00000
Ni2  Ni   8 e 0.12750 0.00000 0.00000 1.00000
La2  La   8 f 0.00000 0.13992 0.17412 1.00000
La3  La   8 f 0.00000 0.72780 0.20648 1.00000
La4  La   8 f 0.00000 0.19723 0.62632 1.00000
La5  La   8 f 0.00000 0.13880 0.02884 1.00000
La6  La   8 f 0.00000 0.39065 0.09880 1.00000
La7  La   8 f 0.00000 0.06788 0.55569 1.00000
La8  La   8 f 0.00000 0.59876 0.13280 1.00000
La9  La   8 f 0.00000 0.28079 0.54761 1.00000
Mg2  Mg   8 f 0.00000 0.06780 0.69120 1.00000
Ni3  Ni   8 f 0.00000 0.07797 0.09224 1.00000
Ni4  Ni   8 f 0.00000 0.45337 0.16750 1.00000
Ni5  Ni   8 f 0.00000 0.43146 0.00910 1.00000
La10 La   8 g 0.18607 0.20422 0.25000 1.00000
Mg3  Mg   8 g 0.33380 0.37740 0.25000 1.00000
La11 La  16 h 0.18828 0.32898 0.17400 1.00000
La12 La  16 h 0.19344 0.20140 0.10123 1.00000
La13 La  16 h 0.30731 0.03499 0.20655 1.00000
La14 La  16 h 0.30495 0.49596 0.12681 1.00000
La15 La  16 h 0.19578 0.33018 0.02600 1.00000
La16 La  16 h 0.31697 0.03483 0.04522 1.00000
Ni6  Ni  16 h 0.28120 0.17213 0.16828 1.00000
Ni7  Ni  16 h 0.28070 0.35936 0.09067 1.00000
