# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'epsilon-WO3'
_chemical_formula_sum 'O3 W'

loop_
_publ_author_name
 'P. M. Woodward'
 'A. W. Sleight'
 'T. Vogt'
_journal_name_full_name
;
 Journal of Solid State Chemistry
;
_journal_volume 131
_journal_year 1997
_journal_page_first 9
_journal_page_last 17
_publ_Section_title
;
 Ferroelectric tungsten trioxide
;

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

_aflow_title '$\epsilon$-WO$_{3}$ (Low-temperature) Structure'
_aflow_proto 'A3B_mP16_7_6a_2a'
_aflow_params 'a,b/a,c/a,\beta,x_{1},y_{1},z_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6},x_{7},y_{7},z_{7},x_{8},y_{8},z_{8}'
_aflow_params_values '5.2778002048,0.97690325515,1.45210125431,91.762,0.5044,0.292,0.01,0.5764,0.215,0.586,0.0,0.209,0.0,0.0864,0.29,0.58,0.2874,0.0717,0.287,0.7924,0.4201,0.301,0.2874,0.014,0.0012,0.7994,0.528,0.078'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'mP16'

_cell_length_a    5.2778002048
_cell_length_b    5.1559002001
_cell_length_c    7.6639002974
_cell_angle_alpha 90.0000000000
_cell_angle_beta  91.7620000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P 1 c 1"
_symmetry_Int_Tables_number 7
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 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
O1 O   2 a 0.50440 0.29200 0.01000 1.00000
O2 O   2 a 0.57640 0.21500 0.58600 1.00000
O3 O   2 a 0.00000 0.20900 0.00000 1.00000
O4 O   2 a 0.08640 0.29000 0.58000 1.00000
O5 O   2 a 0.28740 0.07170 0.28700 1.00000
O6 O   2 a 0.79240 0.42010 0.30100 1.00000
W1 W   2 a 0.28740 0.01400 0.00120 1.00000
W2 W   2 a 0.79940 0.52800 0.07800 1.00000
