data_[Bi4O4F12]
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 [7.7485]
_cell_length_b [7.4141]
_cell_length_c [9.0593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BiOF3]
_chemical_formula_sum '[Bi4 O4 F12]'
_cell_volume [424.7702]
_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  0.0650  0.7499  0.5292  1
  O  O1  4  0.4797  0.5811  0.4903  1
  F  F2  4  0.0371  0.7411  0.7647  1
  F  F3  4  0.1963  0.0608  0.1077  1
  F  F4  4  0.1966  0.0612  0.5920  1
]