# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'KSbO3'
_chemical_formula_sum 'K O3 Sb'

loop_
_publ_author_name
 'P. Spiegelberg'
_journal_name_full_name
;
 Arkiv f{\"o}r Kemi, Mineralogi och Geologi
;
_journal_volume 14A
_journal_year 1940
_journal_page_first 1
_journal_page_last 12
_publ_Section_title
;
 X-ray studies on potassium antimonates
;

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

_aflow_title 'KSbO$_{3}$ (High-temperature) Structure'
_aflow_proto 'AB3C_cP60_201_be_fh_g'
_aflow_params 'a,x_{2},x_{3},x_{4},x_{5},y_{5},z_{5}'
_aflow_params_values '9.5599167841,0.3889,0.6111,0.0972,0.0389,0.0972,0.75'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'cP60'

_cell_length_a    9.5599167841
_cell_length_b    9.5599167841
_cell_length_c    9.5599167841
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 2/n -3 (origin choice 2)"
_symmetry_Int_Tables_number 201
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y+1/2,-z+1/2
3 -x+1/2,y,-z+1/2
4 -x+1/2,-y+1/2,z
5 y,z,x
6 y,-z+1/2,-x+1/2
7 -y+1/2,z,-x+1/2
8 -y+1/2,-z+1/2,x
9 z,x,y
10 z,-x+1/2,-y+1/2
11 -z+1/2,x,-y+1/2
12 -z+1/2,-x+1/2,y
13 -x,-y,-z
14 -x,y+1/2,z+1/2
15 x+1/2,-y,z+1/2
16 x+1/2,y+1/2,-z
17 -y,-z,-x
18 -y,z+1/2,x+1/2
19 y+1/2,-z,x+1/2
20 y+1/2,z+1/2,-x
21 -z,-x,-y
22 -z,x+1/2,y+1/2
23 z+1/2,-x,y+1/2
24 z+1/2,x+1/2,-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
K1  K    4 b 0.00000 0.00000 0.00000 1.00000
K2  K    8 e 0.38890 0.38890 0.38890 1.00000
O1  O   12 f 0.61110 0.25000 0.25000 1.00000
Sb1 Sb  12 g 0.09720 0.75000 0.25000 1.00000
O2  O   24 h 0.03890 0.09720 0.75000 1.00000
