# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'CrO3'
_chemical_formula_sum 'Cr O3'

loop_
_publ_author_name
 'A. Bystr\"{o}m'
 'K.-A. Wilhelmi'
_journal_name_full_name
;
 Acta Chemica Scandinavica
;
_journal_volume 4
_journal_year 1950
_journal_page_first 1131
_journal_page_last 1141
_publ_Section_title
;
 The Crystal Structure of Chromium Trioxide
;

_aflow_title 'Orthorhombic CrO$_{3}$ Structure'
_aflow_proto 'AB3_oC16_40_b_a2b'
_aflow_params 'a,b/a,c/a,z_{1},y_{2},z_{2},y_{3},z_{3},y_{4},z_{4}'
_aflow_params_values '5.743,1.54199895525,0.833884729236,0.444,0.097,0.306,0.778,0.0,0.222,0.0'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oC16'

_symmetry_space_group_name_H-M "A m a 2"
_symmetry_Int_Tables_number 40
 
_cell_length_a    5.74300
_cell_length_b    8.85570
_cell_length_c    4.78900
_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+1/2,-y,z
4 -x+1/2,y,z
5 x,y+1/2,z+1/2
6 -x,-y+1/2,z+1/2
7 x+1/2,-y+1/2,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 4 a 0.00000 0.00000 0.44400 1.00000
Cr1 Cr 4 b 0.25000 0.09700 0.30600 1.00000
O2 O 4 b 0.25000 0.77800 0.00000 1.00000
O3 O 4 b 0.25000 0.22200 0.00000 1.00000