data_[K16Bi4Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.9848]
_cell_length_b [18.9079]
_cell_length_c [8.7417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [K8Bi2Sb]
_chemical_formula_sum '[K16 Bi4 Sb2]'
_cell_volume [989.2142]
_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  0.0000  0.1593  0.0471  1
  K  K1  4  0.0000  0.1997  0.5305  1
  K  K2  4  0.0000  0.4004  0.2062  1
  K  K3  2  0.0000  0.0000  0.4010  1
  K  K4  2  0.0000  0.5000  0.5872  1
  Bi  Bi5  4  0.0000  0.3390  0.8124  1
  Sb  Sb6  2  0.0000  0.0000  0.8118  1
]