data_[Bi8O4F8]
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 [C2/m]
_cell_length_a [10.4741]
_cell_length_b [4.1357]
_cell_length_c [9.6375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi2OF2]
_chemical_formula_sum '[Bi8 O4 F8]'
_cell_volume [351.4826]
_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  0.0452  0.0000  0.8614  1
  Bi  Bi1  4  0.1819  0.0000  0.6123  1
  O  O2  4  0.1924  0.0000  0.3771  1
  F  F3  4  0.0616  0.5000  0.6881  1
  F  F4  4  0.1473  0.5000  0.0057  1
]