data_[Tl2Bi6Pd2]
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 [Pmn2_1]
_cell_length_a [7.2364]
_cell_length_b [6.3721]
_cell_length_c [6.4671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [TlBi3Pd]
_chemical_formula_sum '[Tl2 Bi6 Pd2]'
_cell_volume [298.2070]
_cell_formula_units_Z [2]
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  2  0.0000  0.2802  0.5379  1.0
  Bi  Bi1  4  0.2487  0.2180  0.0485  1.0
  Bi  Bi2  2  0.0000  0.6455  0.1456  1.0
  Pd  Pd3  2  0.0000  0.9482  0.8412  1.0
]