data_[Bi4O4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1689]
_cell_length_b [5.5763]
_cell_length_c [5.4865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1277]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BiOF]
_chemical_formula_sum '[Bi4 O4 F4]'
_cell_volume [188.4516]
_cell_formula_units_Z [4]
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  4  0.2953  0.5241  0.7264  1.0
  O  O1  4  0.4875  0.2479  0.4967  1.0
  F  F2  4  0.1289  0.5797  0.2836  1.0
]