data_[Nd12Ni4Pd4]
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 [C2/m]
_cell_length_a [15.9456]
_cell_length_b [3.9896]
_cell_length_c [8.2595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3NiPd]
_chemical_formula_sum '[Nd12 Ni4 Pd4]'
_cell_volume [523.6777]
_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  0.0556  0.0000  0.3136  1.0
  Nd  Nd1  4  0.1036  0.5000  0.9472  1.0
  Nd  Nd2  4  0.2324  0.0000  0.6922  1.0
  Ni  Ni3  4  0.2163  0.0000  0.0636  1.0
  Pd  Pd4  4  0.0912  0.5000  0.5751  1.0
]