data_[Tl8In4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.1601]
_cell_length_b [9.1358]
_cell_length_c [7.9559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2InTe2]
_chemical_formula_sum '[Tl8 In4 Te8]'
_cell_volume [737.8050]
_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
[
  Tl  Tl0  4  0.0792  0.7433  0.0137  1.0
  Tl  Tl1  4  0.3331  0.2153  0.4986  1.0
  In  In2  4  0.3676  0.6061  0.3464  1.0
  Te  Te3  4  0.1249  0.0678  0.7562  1.0
  Te  Te4  4  0.3932  0.5746  0.7333  1.0
]