data_[K12Sn4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6249]
_cell_length_b [11.8330]
_cell_length_c [9.7677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3SnBi3]
_chemical_formula_sum '[K12 Sn4 Bi12]'
_cell_volume [1227.1720]
_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  0.0000  0.1650  0.5000  1
  K  K1  4  0.0000  0.2735  0.0000  1
  K  K2  4  0.1162  0.5000  0.3631  1
  Sn  Sn3  4  0.1466  0.0000  0.1217  1
  Bi  Bi4  8  0.1956  0.3584  0.6975  1
  Bi  Bi5  4  0.1231  0.0000  0.8201  1
]