data_[La16Cd4Ni4]
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 [C2/c]
_cell_length_a [9.0088]
_cell_length_b [14.2440]
_cell_length_c [6.3009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4CdNi]
_chemical_formula_sum '[La16 Cd4 Ni4]'
_cell_volume [733.0836]
_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  0.1150  0.1889  0.0768  1
  La  La1  8  0.2385  0.4271  0.3506  1
  Cd  Cd2  4  0.0000  0.3845  0.7500  1
  Ni  Ni3  4  0.0000  0.0014  0.2500  1
]