data_[Ce4Nd8Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [10.8348]
_cell_length_b [6.2601]
_cell_length_c [7.1606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce(NdNi)2]
_chemical_formula_sum '[Ce4 Nd8 Ni8]'
_cell_volume [476.8869]
_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
[
  Ce  Ce0  4  0.0000  0.0789  0.2500  1
  Nd  Nd1  8  0.1519  0.3939  0.6456  1
  Ni  Ni2  8  0.1477  0.1568  0.0065  1
]