data_[Cu2Sn4Pd12]
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_2/mnm]
_cell_length_a [8.2748]
_cell_length_b [8.2748]
_cell_length_c [4.2377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Cu(SnPd3)2]
_chemical_formula_sum '[Cu2 Sn4 Pd12]'
_cell_volume [290.1658]
_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  0.5000  1
  Sn  Sn1  4  0.1970  0.1970  0.0000  1
  Pd  Pd2  8  0.0246  0.3266  0.5000  1
  Pd  Pd3  4  0.1311  0.8689  0.0000  1
]