data_[K4Bi4I4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Bi  2.0200  1.6000  1.0350
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1254]
_cell_length_b [4.2274]
_cell_length_c [9.7594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KBiIF3]
_chemical_formula_sum '[K4 Bi4 I4 F12]'
_cell_volume [572.1950]
_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
[
  K  K0  4  0.1661  0.5000  0.6077  1.0
  Bi  Bi1  4  0.0173  0.0000  0.2185  1.0
  I  I2  4  0.1422  0.5000  0.0648  1.0
  F  F3  4  0.0263  0.5000  0.3162  1.0
  F  F4  4  0.0860  0.0000  0.6828  1.0
  F  F5  4  0.1533  0.0000  0.4110  1.0
]