# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'WO3'
_chemical_formula_sum 'O3 W'

loop_
_publ_author_name
 'T. Vogt'
 'P. M. Woodward'
 'B. A. Hunter'
_journal_name_full_name
;
 Journal of Solid State Chemistry
;
_journal_volume 144
_journal_year 1999
_journal_page_first 209
_journal_page_last 215
_publ_Section_title
;
 The high-temperature phases of WO$_{3}$
;

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

_aflow_title 'WO$_{3}$ Structure'
_aflow_proto 'A3B_oP32_60_3d_d'
_aflow_params 'a,b/a,c/a,x_{1},y_{1},z_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4}'
_aflow_params_values '7.3397836195,1.05524748967,1.03197678378,0.5016,0.7205,0.0322,0.2167,0.7591,0.2582,0.2197,0.5016,0.013,0.248,0.783,0.0291'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oP32'

_cell_length_a    7.3397836195
_cell_length_b    7.7452882392
_cell_length_c    7.5744862933
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 21/b 2/c 21/n"
_symmetry_Int_Tables_number 60
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x+1/2,-y+1/2,-z
3 -x,y,-z+1/2
4 -x+1/2,-y+1/2,z+1/2
5 -x,-y,-z
6 -x+1/2,y+1/2,z
7 x,-y,z+1/2
8 x+1/2,y+1/2,-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
O1 O   8 d 0.50160 0.72050 0.03220 1.00000
O2 O   8 d 0.21670 0.75910 0.25820 1.00000
O3 O   8 d 0.21970 0.50160 0.01300 1.00000
W1 W   8 d 0.24800 0.78300 0.02910 1.00000
