data_[K1Bi1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9573]
_cell_length_b [6.6368]
_cell_length_c [7.9689]
_cell_angle_alpha [72.5322]
_cell_angle_beta [82.0295]
_cell_angle_gamma [81.4692]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KBiCl6]
_chemical_formula_sum '[K1 Bi1 Cl6]'
_cell_volume [246.0899]
_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
[
  K  K0  1  0.2463  0.2967  0.3378  1
  Bi  Bi1  1  0.8505  0.6582  0.7647  1
  Cl  Cl2  1  0.1667  0.3499  0.9361  1
  Cl  Cl3  1  0.2111  0.8183  0.2243  1
  Cl  Cl4  1  0.2942  0.8858  0.6826  1
  Cl  Cl5  1  0.6342  0.6386  0.1062  1
  Cl  Cl6  1  0.7556  0.4006  0.5961  1
  Cl  Cl7  1  0.8415  0.9519  0.3523  1
]