data_[Nd14Ni4Pd4]
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 [Cmmm]
_cell_length_a [7.6509]
_cell_length_b [11.4028]
_cell_length_c [7.0010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nd7(NiPd)2]
_chemical_formula_sum '[Nd14 Ni4 Pd4]'
_cell_volume [610.7732]
_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  8  0.2500  0.2500  0.2631  1
  Nd  Nd1  4  0.0000  0.5000  0.2531  1
  Nd  Nd2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  4  0.0000  0.2979  0.0000  1
  Pd  Pd4  4  0.1812  0.0000  0.5000  1
]