data_[K12In4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4716]
_cell_length_b [5.4242]
_cell_length_c [10.1563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3InBi2]
_chemical_formula_sum '[K12 In4 Bi8]'
_cell_volume [1050.2438]
_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  0.0553  0.0000  0.1827  1.0
  K  K1  4  0.1827  0.5000  0.0674  1.0
  K  K2  4  0.1908  0.0000  0.5639  1.0
  In  In3  4  0.0639  0.5000  0.6834  1.0
  Bi  Bi4  4  0.0970  0.5000  0.4017  1.0
  Bi  Bi5  4  0.1226  0.0000  0.8461  1.0
]