data_[Tl10In2Te8]
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 [C2/m]
_cell_length_a [19.7604]
_cell_length_b [4.6482]
_cell_length_c [8.6835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5InTe4]
_chemical_formula_sum '[Tl10 In2 Te8]'
_cell_volume [725.9811]
_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
[
  Tl  Tl0  4  0.1508  0.0000  0.7721  1.0
  Tl  Tl1  4  0.2073  0.0000  0.3241  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.0367  0.0000  0.2598  1.0
  Te  Te5  4  0.1582  0.5000  0.0384  1.0
]