data_[La4Tb2Tl6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9851]
_cell_length_b [13.8236]
_cell_length_c [8.5891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Tb(TlTe2)3]
_chemical_formula_sum '[La4 Tb2 Tl6 Te12]'
_cell_volume [901.3736]
_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  0.3337  0.0000  1.0
  Tb  Tb1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.1688  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  8  0.2342  0.1616  0.2182  1.0
  Te  Te5  4  0.2493  0.0000  0.7793  1.0
]