data_[Nd4Cd12Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3600]
_cell_length_b [4.3770]
_cell_length_c [8.0624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdCd3Pd2]
_chemical_formula_sum '[Nd4 Cd12 Pd8]'
_cell_volume [532.9472]
_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  0.1191  0.0000  0.1531  1
  Cd  Cd1  4  0.0568  0.0000  0.6820  1
  Cd  Cd2  4  0.1553  0.5000  0.4915  1
  Cd  Cd3  4  0.1849  0.5000  0.8958  1
  Pd  Pd4  4  0.0045  0.5000  0.8348  1
  Pd  Pd5  4  0.2367  0.0000  0.7224  1
]