data_[Tl12Bi4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.3081]
_cell_length_b [5.2324]
_cell_length_c [9.2059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tl3BiPd]
_chemical_formula_sum '[Tl12 Bi4 Pd4]'
_cell_volume [544.7031]
_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
[
  Tl  Tl0  4  0.0769  0.7500  0.2351  1
  Tl  Tl1  4  0.0879  0.7500  0.8707  1
  Tl  Tl2  4  0.0997  0.2500  0.4585  1
  Bi  Bi3  4  0.2345  0.2500  0.0759  1
  Pd  Pd4  4  0.1788  0.2500  0.7588  1
]