# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Cs2Se'
_chemical_formula_sum 'Cs2 Se'

loop_
_publ_author_name
 'P. B\"{o}ttcher'
_journal_name_full_name
;
 Journal of the Less-Common Metals
;
_journal_volume 76
_journal_year 1980
_journal_page_first 271
_journal_page_last 277
_publ_Section_title
;
 Zur Kenntnis von Cs$_{2}$Se
;

# Found in Pearson's Handbook of Crystallographic Data, 1991

_aflow_title 'Cs$_{2}$Se Structure'
_aflow_proto 'A2B_oF24_43_b_a'
_aflow_params 'a,b/a,c/a,z_{1},x_{2},y_{2},z_{2}'
_aflow_params_values '16.49,0.712553062462,0.410855063675,0.0,0.0749,0.202,0.8118'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oF24'

_symmetry_space_group_name_H-M "F d d 2"
_symmetry_Int_Tables_number 43
 
_cell_length_a    16.49000
_cell_length_b    11.75000
_cell_length_c    6.77500
_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+1/4,y+1/4,z+1/4
4 x+1/4,-y+1/4,z+1/4
5 x,y+1/2,z+1/2
6 -x,-y+1/2,z+1/2
7 -x+1/4,y+3/4,z+3/4
8 x+1/4,-y+3/4,z+3/4
9 x+1/2,y,z+1/2
10 -x+1/2,-y,z+1/2
11 -x+3/4,y+1/4,z+3/4
12 x+3/4,-y+1/4,z+3/4
13 x+1/2,y+1/2,z
14 -x+1/2,-y+1/2,z
15 -x+3/4,y+3/4,z+1/4
16 x+3/4,-y+3/4,z+1/4
 
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
Se1 Se 8 a 0.00000 0.00000 0.00000 1.00000
Cs1 Cs 16 b 0.07490 0.20200 0.81180 1.00000