data_[Nd8Cu4Pd8]
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 [C2/m]
_cell_length_a [10.7750]
_cell_length_b [4.2166]
_cell_length_c [11.0180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1615]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2CuPd2]
_chemical_formula_sum '[Nd8 Cu4 Pd8]'
_cell_volume [445.3826]
_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
[
  Nd  Nd0  4  0.0192  0.0000  0.3434  1.0
  Nd  Nd1  4  0.1877  0.0000  0.1116  1.0
  Cu  Cu2  4  0.2142  0.5000  0.3345  1.0
  Pd  Pd3  4  0.0318  0.5000  0.8866  1.0
  Pd  Pd4  4  0.1447  0.5000  0.5653  1.0
]