data_[La16Nd4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.4997]
_cell_length_b [6.6551]
_cell_length_c [7.2351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4NdNi]
_chemical_formula_sum '[La16 Nd4 Ni4]'
_cell_volume [802.4394]
_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
[
  La  La0  8  0.0965  0.4066  0.5226  1.0
  La  La1  8  0.1867  0.0950  0.1310  1.0
  Nd  Nd2  4  0.0000  0.0448  0.7500  1.0
  Ni  Ni3  4  0.2500  0.2500  0.5000  1.0
]