data_[Cu4Sn4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [7.9807]
_cell_length_b [7.9807]
_cell_length_c [3.9744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CuSnPd2]
_chemical_formula_sum '[Cu4 Sn4 Pd8]'
_cell_volume [253.1383]
_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
[
  Cu  Cu0  4  0.0000  0.2445  0.5000  1.0
  Sn  Sn1  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn2  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  1  0.5000  0.5000  0.0000  1.0
  Pd  Pd4  4  0.2397  0.2397  0.0000  1.0
  Pd  Pd5  4  0.2411  0.5000  0.5000  1.0
]