data_[Tl8Bi4Pd16]
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 [9.2485]
_cell_length_b [4.4950]
_cell_length_c [13.6495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tl2BiPd4]
_chemical_formula_sum '[Tl8 Bi4 Pd16]'
_cell_volume [567.4390]
_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  0.0858  0.7500  0.9171  1
  Tl  Tl1  4  0.1325  0.7500  0.3677  1
  Bi  Bi2  4  0.1699  0.7500  0.6241  1
  Pd  Pd3  4  0.0832  0.2500  0.2539  1
  Pd  Pd4  4  0.1123  0.2500  0.4891  1
  Pd  Pd5  4  0.1167  0.2500  0.7638  1
  Pd  Pd6  4  0.1349  0.7500  0.1210  1
]