# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'KCeSe4'
_chemical_formula_sum 'Ce K Se4'

loop_
_publ_author_name
 'A. C. Sutorik'
 'M. G. Kanatzidis'
_journal_name_full_name
;
 Angewandte Chemie (International ed.)
;
_journal_volume 31
_journal_year 1992
_journal_page_first 1594
_journal_page_last 1596
_publ_Section_title
;
 KCeSe$_{4}$: A New Solid-State Lanthanide Polychalcogenide
;

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

_aflow_title 'KCeSe$_{4}$ Structure'
_aflow_proto 'ABC4_tP12_125_a_b_m'
_aflow_params 'a,c/a,x_{3},z_{3}'
_aflow_params_values '6.3759876428,1.30630489336,0.3822,0.2163'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP12'

_cell_length_a    6.3759876428
_cell_length_b    6.3759876428
_cell_length_c    8.3289838578
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 4/n 2/b 2/m (origin choice 2)"
_symmetry_Int_Tables_number 125
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y+1/2,-z
3 -x+1/2,y,-z
4 -x+1/2,-y+1/2,z
5 -y+1/2,-x+1/2,-z
6 -y+1/2,x,z
7 y,-x+1/2,z
8 y,x,-z
9 -x,-y,-z
10 -x,y+1/2,z
11 x+1/2,-y,z
12 x+1/2,y+1/2,-z
13 y+1/2,x+1/2,z
14 y+1/2,-x,-z
15 -y,x+1/2,-z
16 -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
Ce1 Ce   2 a 0.25000 0.25000 0.00000 1.00000
K1  K    2 b 0.25000 0.25000 0.50000 1.00000
Se1 Se   8 m 0.38220 0.61780 0.21630 1.00000
