data_[Cs2K1Tl4Bi3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.5636]
_cell_length_b [5.5636]
_cell_length_c [13.8899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Cs2KTl4Bi3]
_chemical_formula_sum '[Cs2 K1 Tl4 Bi3]'
_cell_volume [429.9449]
_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
[
  Cs  Cs0  2  0.0000  0.5000  0.7728  1.0
  K  K1  1  0.5000  0.5000  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.3570  1.0
  Tl  Tl3  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  1  0.5000  0.5000  0.0000  1.0
  Bi  Bi5  2  0.0000  0.5000  0.1215  1.0
  Bi  Bi6  1  0.0000  0.0000  0.5000  1.0
]