data_[La12Tl4Te2I6]
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
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1620]
_cell_length_b [14.0932]
_cell_length_c [7.8490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1219]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Tl2TeI3]
_chemical_formula_sum '[La12 Tl4 Te2 I6]'
_cell_volume [847.7506]
_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  0.2477  0.1687  0.2349  1.0
  La  La1  4  0.2368  0.5000  0.2304  1.0
  Tl  Tl2  4  0.0000  0.3323  0.0000  1.0
  Te  Te3  2  0.0000  0.0000  0.0000  1.0
  I  I4  4  0.0000  0.1647  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]