# generated using pymatgen
data_BiOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96958714
_cell_length_b   3.96824418
_cell_length_c   5.74503759
_cell_angle_alpha   90.00346092
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiOF
_chemical_formula_sum   'Bi2 O2 F2'
_cell_volume   90.49750424
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Bi  Bi0  1  0.25297293  0.75028521  0.28352270  1.0
  Bi  Bi1  1  0.75297293  0.24971479  0.71647730  1.0
  O  O2  1  0.25254475  0.24983741  0.50041505  1.0
  O  O3  1  0.75254475  0.75016259  0.49958495  1.0
  F  F4  1  0.25054232  0.24952379  0.00075912  1.0
  F  F5  1  0.75054232  0.75047621  0.99924088  1.0