data_[La16Cd4Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0550]
_cell_length_b [14.1477]
_cell_length_c [6.1377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4CdCu]
_chemical_formula_sum '[La16 Cd4 Cu4]'
_cell_volume [731.7764]
_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  0.1124  0.1919  0.5722  1.0
  La  La1  8  0.2213  0.4169  0.8562  1.0
  Cd  Cd2  4  0.0000  0.3888  0.2500  1.0
  Cu  Cu3  4  0.0000  0.0028  0.2500  1.0
]