data_[Cu4Ni12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2509]
_cell_length_b [3.5533]
_cell_length_c [5.1975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuNi3Pd]
_chemical_formula_sum '[Cu4 Ni12 Pd4]'
_cell_volume [240.0127]
_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  0.0007  0.5000  0.2641  1.0
  Ni  Ni1  4  0.1028  0.0000  0.5507  1.0
  Ni  Ni2  4  0.2008  0.5000  0.8384  1.0
  Ni  Ni3  4  0.2051  0.5000  0.3606  1.0
  Pd  Pd4  4  0.1038  0.0000  0.0514  1.0
]