data_[Nd16Zn2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6126]
_cell_length_b [5.2938]
_cell_length_c [6.9577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3037]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8ZnPd2]
_chemical_formula_sum '[Nd16 Zn2 Pd4]'
_cell_volume [647.0135]
_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  0.0285  0.0000  0.7862  1.0
  Nd  Nd1  4  0.0931  0.5000  0.4719  1.0
  Nd  Nd2  4  0.1743  0.5000  0.0042  1.0
  Nd  Nd3  4  0.1997  0.0000  0.3376  1.0
  Zn  Zn4  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd5  4  0.1712  0.0000  0.7297  1.0
]