data_[K12Zr2Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [11.4910]
_cell_length_b [11.4910]
_cell_length_c [8.8402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [K6ZrBi4]
_chemical_formula_sum '[K12 Zr2 Bi8]'
_cell_volume [1010.9014]
_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  6  0.0570  0.5285  0.8640  1
  K  K1  6  0.1426  0.2852  0.5485  1
  Zr  Zr2  2  0.3333  0.6667  0.2439  1
  Bi  Bi3  6  0.1941  0.3881  0.1525  1
  Bi  Bi4  2  0.3333  0.6667  0.5687  1
]