data_[Tl10Sn2Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2476]
_cell_length_b [6.2802]
_cell_length_c [9.5021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5SnTe5]
_chemical_formula_sum '[Tl10 Sn2 Te10]'
_cell_volume [854.0912]
_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  0.1743  0.5000  0.8479  1.0
  Tl  Tl1  4  0.1862  0.5000  0.3142  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  4  0.1550  0.0000  0.8430  1.0
  Te  Te5  4  0.1616  0.0000  0.3203  1.0
  Te  Te6  2  0.0000  0.5000  0.0000  1.0
]