data_[Bi8O4F16]
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/c]
_cell_length_a [13.0313]
_cell_length_b [5.6667]
_cell_length_c [5.8314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Bi2OF4]
_chemical_formula_sum '[Bi8 O4 F16]'
_cell_volume [420.9846]
_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  8  0.1058  0.2145  0.5815  1.0
  O  O1  4  0.0000  0.0388  0.2500  1.0
  F  F2  8  0.0785  0.3829  0.9396  1.0
  F  F3  8  0.2143  0.0665  0.3228  1.0
]