data_[La22Cd18Cu8]
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 [Cmmm]
_cell_length_a [15.2290]
_cell_length_b [22.8204]
_cell_length_c [3.8210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La11Cd9Cu4]
_chemical_formula_sum '[La22 Cd18 Cu8]'
_cell_volume [1327.9350]
_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  8  0.2420  0.1733  0.0000  1
  La  La1  4  0.0000  0.1629  0.0000  1
  La  La2  4  0.0000  0.3725  0.0000  1
  La  La3  4  0.1927  0.5000  0.0000  1
  La  La4  2  0.0000  0.0000  0.0000  1
  Cd  Cd5  8  0.1014  0.2654  0.5000  1
  Cd  Cd6  8  0.1481  0.0705  0.5000  1
  Cd  Cd7  2  0.0000  0.5000  0.5000  1
  Cu  Cu8  8  0.1511  0.3997  0.5000  1
]