data_[Ni16Te32Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  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 [10.9431]
_cell_length_b [10.9431]
_cell_length_c [10.9431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Ni2Te4Pd]
_chemical_formula_sum '[Ni16 Te32 Pd8]'
_cell_volume [1310.4550]
_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
[
  Ni  Ni0  16  0.1250  0.1250  0.1250  1
  Te  Te1  32  0.1113  0.1113  0.8887  1
  Pd  Pd2  8  0.0000  0.0000  0.5000  1
]