# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'gamma-MgNiSn'
_chemical_formula_sum 'M7 Mg7 Ni2'

loop_
_publ_author_name
 'M. Boudard'
 'P. Bordet'
 'H. Vincent'
 'F. Audebert'
_journal_name_full_name
;
 Journal of Alloys and Compounds
;
_journal_volume 372
_journal_year 2004
_journal_page_first 121
_journal_page_last 128
_publ_Section_title
;
 The structure of the Y-phase in the Mg--Ni--Sn system
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title '$\gamma$-MgNiSn Structure'
_aflow_proto 'A7B7C2_tP32_101_bde_ade_d'
_aflow_params 'a,c/a,z_{1},z_{2},x_{3},z_{3},x_{4},z_{4},x_{5},z_{5},x_{6},y_{6},z_{6},x_{7},y_{7},z_{7}'
_aflow_params_values '9.8510697809,0.697188102729,0.0,0.4692,0.17136,0.73945,0.2254,0.3402,0.30926,0.0086,0.2384,0.5244,0.2259,0.0352,0.3449,0.0281'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP32'

_cell_length_a    9.8510697809
_cell_length_b    9.8510697809
_cell_length_c    6.8680486504
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 42 c m"
_symmetry_Int_Tables_number 101
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -y,x,z+1/2
4 y,-x,z+1/2
5 -x,y,z+1/2
6 x,-y,z+1/2
7 y,x,z
8 -y,-x,z
 
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
Mg1 Mg   2 a 0.00000 0.00000 0.00000 1.00000
M1 M    2 b 0.50000 0.50000 0.46920 1.00000
M2 M    4 d 0.17136 0.17136 0.73945 1.00000
Mg2 Mg   4 d 0.22540 0.22540 0.34020 1.00000
Ni1 Ni   4 d 0.30926 0.30926 0.00860 1.00000
M3 M    8 e 0.23840 0.52440 0.22590 1.00000
Mg3 Mg   8 e 0.03520 0.34490 0.02810 1.00000
