data_[Tl4Bi4Pd20]
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 [C2/c]
_cell_length_a [7.2406]
_cell_length_b [7.8470]
_cell_length_c [9.7367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlBiPd5]
_chemical_formula_sum '[Tl4 Bi4 Pd20]'
_cell_volume [514.0550]
_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  0.0000  0.0000  0.0000  1.0
  Bi  Bi1  4  0.0000  0.4999  0.2500  1.0
  Pd  Pd2  8  0.1128  0.3441  0.5380  1.0
  Pd  Pd3  8  0.2054  0.1820  0.8445  1.0
  Pd  Pd4  4  0.0000  0.1508  0.2500  1.0
]