data_[Nd4Ni2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.1105]
_cell_length_b [6.6024]
_cell_length_c [7.8831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Nd2NiPd2]
_chemical_formula_sum '[Nd4 Ni2 Pd4]'
_cell_volume [213.9422]
_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  0.5000  0.0117  0.4046  1
  Nd  Nd1  2  0.5000  0.4696  0.1408  1
  Ni  Ni2  2  0.0000  0.3056  0.4669  1
  Pd  Pd3  2  0.0000  0.0744  0.1530  1
  Pd  Pd4  2  0.0000  0.3133  0.8348  1
]