data_[Nd12Cu2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8127]
_cell_length_b [7.4099]
_cell_length_c [12.2222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6CuPd2]
_chemical_formula_sum '[Nd12 Cu2 Pd4]'
_cell_volume [521.6942]
_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
[
  Nd  Nd0  4  0.0826  0.5401  0.7445  1.0
  Nd  Nd1  4  0.2190  0.1808  0.5717  1.0
  Nd  Nd2  4  0.3819  0.6671  0.5649  1.0
  Cu  Cu3  2  0.5000  0.0000  0.5000  1.0
  Pd  Pd4  4  0.3198  0.6212  0.2512  1.0
]