data_[La3Cd3Ni51]
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 [R3m]
_cell_length_a [8.3043]
_cell_length_b [8.3043]
_cell_length_c [12.0837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LaCdNi17]
_chemical_formula_sum '[La3 Cd3 Ni51]'
_cell_volume [721.6600]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3446  1
  Cd  Cd1  3  0.0000  0.0000  0.6568  1
  Ni  Ni2  18  0.0422  0.3737  0.6668  1
  Ni  Ni3  9  0.1683  0.8317  0.8335  1
  Ni  Ni4  9  0.1689  0.3378  0.1808  1
  Ni  Ni5  9  0.1717  0.3433  0.4867  1
  Ni  Ni6  3  0.0000  0.0000  0.0963  1
  Ni  Ni7  3  0.0000  0.0000  0.8983  1
]