data_[La8Tl4Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7390]
_cell_length_b [5.0924]
_cell_length_c [10.4074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2TlCd2]
_chemical_formula_sum '[La8 Tl4 Cd8]'
_cell_volume [586.7882]
_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  4  0.0848  0.0000  0.3681  1.0
  La  La1  4  0.1708  0.0000  0.0568  1.0
  Tl  Tl2  4  0.2365  0.0000  0.7204  1.0
  Cd  Cd3  4  0.0092  0.5000  0.8606  1.0
  Cd  Cd4  4  0.1089  0.5000  0.6166  1.0
]