data_[K1Ba2Li3Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.9318]
_cell_length_b [4.9318]
_cell_length_c [13.4874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [KBa2Li3Bi4]
_chemical_formula_sum '[K1 Ba2 Li3 Bi4]'
_cell_volume [328.0453]
_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  1  0.5000  0.5000  0.5000  1.0
  Ba  Ba1  2  0.0000  0.5000  0.7753  1.0
  Li  Li2  2  0.0000  0.5000  0.1243  1.0
  Li  Li3  1  0.0000  0.0000  0.5000  1.0
  Bi  Bi4  2  0.0000  0.5000  0.3311  1.0
  Bi  Bi5  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi6  1  0.5000  0.5000  0.0000  1.0
]