data_[K5Bi4]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7267]
_cell_length_b [7.0639]
_cell_length_c [8.4917]
_cell_angle_alpha [88.9589]
_cell_angle_beta [89.8973]
_cell_angle_gamma [83.1477]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K5Bi4]
_chemical_formula_sum '[K5 Bi4]'
_cell_volume [400.5500]
_cell_formula_units_Z [1]
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  2  0.2496  0.8012  0.5340  1.0
  K  K1  2  0.2950  0.4709  0.1489  1.0
  K  K2  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  2  0.2041  0.3314  0.7066  1.0
  Bi  Bi4  2  0.4754  0.9680  0.1767  1.0
]