data_[Nd2Cu8Pd12]
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 [I-42m]
_cell_length_a [6.3084]
_cell_length_b [6.3084]
_cell_length_c [9.3985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Nd(Cu2Pd3)2]
_chemical_formula_sum '[Nd2 Cu8 Pd12]'
_cell_volume [374.0177]
_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  2  0.0000  0.0000  0.0000  1
  Cu  Cu1  8  0.1466  0.8534  0.4160  1
  Pd  Pd2  8  0.2204  0.7796  0.6915  1
  Pd  Pd3  4  0.0000  0.5000  0.0000  1
]