# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Mg2Zn11'
_chemical_formula_sum 'Mg2 Zn11'

loop_
_publ_author_name
 'S. Samson'
_journal_name_full_name
;
 Acta Chemica Scandinavica
;
_journal_volume 3
_journal_year 1949
_journal_page_first 835
_journal_page_last 843
_publ_Section_title
;
 Die Kristallstruktur von Mg$_{2}$Zn$_{11}$ Isomorphie zwischen Mg$_{2}$Zn$_{11}$ und Mg$_{2}$Cu$_{6}$Al$_{5}$
;

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

_aflow_title 'Mg$_{2}$Zn$_{11}$ ($D8_{c}$) Structure'
_aflow_proto 'A2B11_cP39_200_f_aghij'
_aflow_params 'a,x_{2},x_{3},x_{4},x_{5},y_{6},z_{6}'
_aflow_params_values '8.5520223662,0.18,0.34,0.265,0.278,0.157,0.257'
_aflow_Strukturbericht '$D8_{c}$'
_aflow_Pearson 'cP39'

_cell_length_a    8.5520223662
_cell_length_b    8.5520223662
_cell_length_c    8.5520223662
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 2/m -3"
_symmetry_Int_Tables_number 200
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x,y,-z
4 -x,-y,z
5 y,z,x
6 y,-z,-x
7 -y,z,-x
8 -y,-z,x
9 z,x,y
10 z,-x,-y
11 -z,x,-y
12 -z,-x,y
13 -x,-y,-z
14 -x,y,z
15 x,-y,z
16 x,y,-z
17 -y,-z,-x
18 -y,z,x
19 y,-z,x
20 y,z,-x
21 -z,-x,-y
22 -z,x,y
23 z,-x,y
24 z,x,-y
 
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
Zn1 Zn   1 a 0.00000 0.00000 0.00000 1.00000
Mg1 Mg   6 f 0.18000 0.00000 0.50000 1.00000
Zn2 Zn   6 g 0.34000 0.50000 0.00000 1.00000
Zn3 Zn   6 h 0.26500 0.50000 0.50000 1.00000
Zn4 Zn   8 i 0.27800 0.27800 0.27800 1.00000
Zn5 Zn  12 j 0.00000 0.15700 0.25700 1.00000
