data_[Nd12Cu4Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6862]
_cell_length_b [7.2903]
_cell_length_c [12.1846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Cu2Ni]
_chemical_formula_sum '[Nd12 Cu4 Ni2]'
_cell_volume [507.0502]
_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  0.1005  0.1873  0.4323  1.0
  Nd  Nd1  4  0.2553  0.6768  0.4319  1.0
  Nd  Nd2  4  0.3911  0.0312  0.2439  1.0
  Cu  Cu3  4  0.1796  0.1105  0.7407  1.0
  Ni  Ni4  2  0.5000  0.0000  0.5000  1.0
]