data_[Tl4Pd496]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [19.6202]
_cell_length_b [19.6202]
_cell_length_c [19.6202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [TlPd124]
_chemical_formula_sum '[Tl4 Pd496]'
_cell_volume [7552.7860]
_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
  Pd  Pd1  96  0.0000  0.1001  0.3001  1
  Pd  Pd2  96  0.1000  0.2000  0.7000  1
  Pd  Pd3  96  0.1002  0.1002  0.2003  1
  Pd  Pd4  48  0.0000  0.1013  0.1013  1
  Pd  Pd5  48  0.0000  0.2004  0.2004  1
  Pd  Pd6  32  0.1000  0.1000  0.4000  1
  Pd  Pd7  32  0.2000  0.2000  0.2000  1
  Pd  Pd8  24  0.0000  0.0000  0.2003  1
  Pd  Pd9  24  0.0000  0.0000  0.4000  1
]