data_[La4Tl6Cd2Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9413]
_cell_length_b [13.8236]
_cell_length_c [8.3997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Tl3CdTe6]
_chemical_formula_sum '[La4 Tl6 Cd2 Te12]'
_cell_volume [873.0841]
_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  0.0000  0.3354  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1740  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Cd  Cd3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2350  0.8382  0.2227  1.0
  Te  Te5  4  0.2473  0.0000  0.7699  1.0
]