data_[La24Tl8Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [12.5500]
_cell_length_b [12.2235]
_cell_length_c [9.2799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La3TlBi]
_chemical_formula_sum '[La24 Tl8 Bi8]'
_cell_volume [1423.5785]
_cell_formula_units_Z [8]
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
[
  La  La0  16  0.1580  0.1517  0.4176  1.0
  La  La1  8  0.0000  0.0673  0.8269  1.0
  Tl  Tl2  8  0.0000  0.2023  0.1357  1.0
  Bi  Bi3  8  0.2500  0.0949  0.7500  1.0
]