data_[Nd12Ni2Pd4]
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 [P2_1/c]
_cell_length_a [6.7143]
_cell_length_b [7.4399]
_cell_length_c [12.1264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6NiPd2]
_chemical_formula_sum '[Nd12 Ni2 Pd4]'
_cell_volume [518.4421]
_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  0.1026  0.1838  0.4344  1.0
  Nd  Nd1  4  0.2600  0.6750  0.4310  1.0
  Nd  Nd2  4  0.3955  0.0366  0.2449  1.0
  Ni  Ni3  2  0.5000  0.0000  0.5000  1.0
  Pd  Pd4  4  0.1749  0.1154  0.7370  1.0
]