data_[Bi4O3F7]
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 [Pm]
_cell_length_a [5.8198]
_cell_length_b [3.9024]
_cell_length_c [8.4619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5377]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Bi4O3F7]
_chemical_formula_sum '[Bi4 O3 F7]'
_cell_volume [192.1700]
_cell_formula_units_Z [1]
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  0.1904  0.0000  0.8726  1.0
  Bi  Bi1  1  0.2618  0.0000  0.3799  1.0
  Bi  Bi2  1  0.7679  0.5000  0.6249  1.0
  Bi  Bi3  1  0.7763  0.5000  0.1139  1.0
  O  O4  1  0.0288  0.0000  0.6294  1.0
  O  O5  1  0.0360  0.0000  0.1147  1.0
  O  O6  1  0.9393  0.5000  0.8712  1.0
  F  F7  1  0.3617  0.5000  0.5418  1.0
  F  F8  1  0.3864  0.5000  0.2364  1.0
  F  F9  1  0.4017  0.5000  0.8908  1.0
  F  F10  1  0.5678  0.0000  0.0525  1.0
  F  F11  1  0.5718  0.0000  0.7234  1.0
  F  F12  1  0.6486  0.0000  0.4032  1.0
  F  F13  1  0.9753  0.5000  0.3715  1.0
]