data_[Tb1Tl1Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pm]
_cell_length_a [3.9428]
_cell_length_b [19.2269]
_cell_length_c [5.9832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TbTlTe2]
_chemical_formula_sum '[Tb1 Tl1 Te2]'
_cell_volume [453.4403]
_cell_formula_units_Z [1]
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
[
  Tb  Tb0  1  0.0127  0.0000  0.7113  1
  Tl  Tl1  1  0.4078  0.0000  0.1939  1
  Te  Te2  2  0.5136  0.1099  0.5555  1
]