data_[K4Ba2Tl2Bi4]
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
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.2954]
_cell_length_b [10.2654]
_cell_length_c [9.2234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [K2BaTlBi2]
_chemical_formula_sum '[K4 Ba2 Tl2 Bi4]'
_cell_volume [501.3790]
_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  2  0.0000  0.1699  0.3611  1.0
  K  K1  2  0.5000  0.0842  0.0335  1.0
  Ba  Ba2  2  0.0000  0.4498  0.9878  1.0
  Tl  Tl3  2  0.5000  0.3154  0.6428  1.0
  Bi  Bi4  2  0.0000  0.1700  0.7478  1.0
  Bi  Bi5  2  0.5000  0.3937  0.2726  1.0
]