data_[La12Cd4Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1986]
_cell_length_b [7.0958]
_cell_length_c [13.4415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6Cd2Ni]
_chemical_formula_sum '[La12 Cd4 Ni2]'
_cell_volume [581.6172]
_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
[
  La  La0  4  0.1349  0.7060  0.9630  1.0
  La  La1  4  0.2626  0.1721  0.9735  1.0
  La  La2  4  0.3456  0.0462  0.2670  1.0
  Cd  Cd3  4  0.2011  0.5782  0.2496  1.0
  Ni  Ni4  2  0.5000  0.0000  0.5000  1.0
]