data_[Cu2Sn12Pd6]
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 [P2_1/c]
_cell_length_a [7.1468]
_cell_length_b [6.4641]
_cell_length_c [11.3483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cu(Sn2Pd)3]
_chemical_formula_sum '[Cu2 Sn12 Pd6]'
_cell_volume [435.1171]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn1  4  0.0764  0.0355  0.2588  1.0
  Sn  Sn2  4  0.2464  0.1465  0.5977  1.0
  Sn  Sn3  4  0.3964  0.6414  0.5721  1.0
  Pd  Pd4  4  0.3028  0.6821  0.2755  1.0
  Pd  Pd5  2  0.5000  0.0000  0.5000  1.0
]