data_[K6Bi2Cl12]
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 [P2_1/c]
_cell_length_a [7.5768]
_cell_length_b [8.0596]
_cell_length_c [13.1909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3BiCl6]
_chemical_formula_sum '[K6 Bi2 Cl12]'
_cell_volume [667.2509]
_cell_formula_units_Z [2]
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  0.2848  0.0739  0.7570  1
  K  K1  2  0.5000  0.0000  0.5000  1
  Bi  Bi2  2  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.0982  0.0606  0.2308  1
  Cl  Cl4  4  0.2490  0.7194  0.0785  1
  Cl  Cl5  4  0.3502  0.1807  0.0591  1
]