data_[Tl10Sb2Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8490]
_cell_length_b [6.3232]
_cell_length_c [9.6117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5SbTe5]
_chemical_formula_sum '[Tl10 Sb2 Te10]'
_cell_volume [853.3759]
_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  0.1762  0.5000  0.8563  1.0
  Tl  Tl1  4  0.1810  0.5000  0.3110  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  4  0.1520  0.0000  0.8415  1.0
  Te  Te5  4  0.1577  0.0000  0.3114  1.0
  Te  Te6  2  0.0000  0.5000  0.0000  1.0
]