data_[La12Cd4Cu2]
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 [P2_1/c]
_cell_length_a [6.5432]
_cell_length_b [8.1695]
_cell_length_c [12.3915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6Cd2Cu]
_chemical_formula_sum '[La12 Cd4 Cu2]'
_cell_volume [580.6858]
_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  0.1078  0.0359  0.2441  1
  La  La1  4  0.1530  0.7029  0.0428  1
  La  La2  4  0.4023  0.1568  0.0333  1
  Cd  Cd3  4  0.3619  0.1113  0.7388  1
  Cu  Cu4  2  0.5000  0.0000  0.5000  1
]