data_[K4Ga4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.5195]
_cell_length_b [13.7894]
_cell_length_c [6.6840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9162]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KGaBi2]
_chemical_formula_sum '[K4 Ga4 Bi8]'
_cell_volume [544.9682]
_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  0.3729  0.7500  1.0
  Ga  Ga1  4  0.0000  0.2335  0.2500  1.0
  Bi  Bi2  8  0.1678  0.1137  0.6375  1.0
]