data_[Te24Pd104]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [12.8101]
_cell_length_b [12.8101]
_cell_length_c [12.8101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Te3Pd13]
_chemical_formula_sum '[Te24 Pd104]'
_cell_volume [2102.1301]
_cell_formula_units_Z [8]
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
[
  Te  Te0  16  0.1250  0.1250  0.1250  1
  Te  Te1  8  0.0000  0.0000  0.5000  1
  Pd  Pd2  48  0.0000  0.0000  0.2380  1
  Pd  Pd3  32  0.1153  0.1153  0.3847  1
  Pd  Pd4  16  0.1250  0.1250  0.6250  1
  Pd  Pd5  8  0.0000  0.0000  0.0000  1
]