data_[Nd4Zn4Pd4]
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 [10.2653]
_cell_length_b [4.4911]
_cell_length_c [7.1167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.6768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdZnPd]
_chemical_formula_sum '[Nd4 Zn4 Pd4]'
_cell_volume [256.1398]
_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  0.0498  0.5000  0.3022  1.0
  Zn  Zn1  4  0.1680  0.0000  0.0980  1.0
  Pd  Pd2  4  0.1674  0.0000  0.7091  1.0
]