data_[Y24Tl4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [11.9012]
_cell_length_b [11.6993]
_cell_length_c [8.5993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y6TlBi3]
_chemical_formula_sum '[Y24 Tl4 Bi12]'
_cell_volume [1197.3197]
_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
[
  Y  Y0  8  0.0000  0.1608  0.0028  1.0
  Y  Y1  8  0.1567  0.5000  0.0000  1.0
  Y  Y2  8  0.2469  0.2533  0.2500  1.0
  Tl  Tl3  4  0.0000  0.3532  0.2500  1.0
  Bi  Bi4  8  0.1466  0.0017  0.2500  1.0
  Bi  Bi5  4  0.0000  0.3570  0.7500  1.0
]