data_[Bi18O24F3]
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 [R-3]
_cell_length_a [6.9523]
_cell_length_b [6.9523]
_cell_length_c [18.4912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Bi6O8F]
_chemical_formula_sum '[Bi18 O24 F3]'
_cell_volume [774.0235]
_cell_formula_units_Z [3]
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  18  0.0031  0.3063  0.5817  1.0
  O  O1  18  0.0013  0.3209  0.4566  1.0
  O  O2  6  0.0000  0.0000  0.3628  1.0
  F  F3  3  0.0000  0.0000  0.0000  1.0
]