# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'alpha-Ag2Se'
_chemical_formula_sum 'Ag2 Se'

loop_
_publ_author_name
 'Z. G. Pinsker'
 'C. {Ching-liang}'
 'R. M. Imamov'
 'E. L. Lapidus'
_journal_name_full_name
;
 Soviet Physics Crystallography
;
_journal_volume 10
_journal_year 1965
_journal_page_first 225
_journal_page_last 231
_publ_Section_title
;
 Determination of the crystal structure of the low-temperature phase $α$-Ag$_{2}$Se
;

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

_aflow_title '$\alpha$-Naumannite (Ag$_{2}$Se) Structure'
_aflow_proto 'A2B_oP12_17_abe_e'
_aflow_params 'a,b/a,c/a,x_{1},x_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4}'
_aflow_params_values '7.0499703347,1.11347517732,0.614184397158,0.893,0.878,0.379,0.225,0.522,0.202,0.275,0.022'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oP12'

_cell_length_a    7.0499703347
_cell_length_b    7.8499669685
_cell_length_c    4.3299817800
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 2 2 21"
_symmetry_Int_Tables_number 17
 
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
 
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
Ag1 Ag   2 a 0.89300 0.00000 0.00000 1.00000
Ag2 Ag   2 b 0.87800 0.50000 0.00000 1.00000
Ag3 Ag   4 e 0.37900 0.22500 0.52200 1.00000
Se1 Se   4 e 0.20200 0.27500 0.02200 1.00000
