data_[Tl10Bi2Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9353]
_cell_length_b [6.3740]
_cell_length_c [9.5942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5848]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5BiTe5]
_chemical_formula_sum '[Tl10 Bi2 Te10]'
_cell_volume [865.7097]
_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  0.1773  0.5000  0.8579  1.0
  Tl  Tl1  4  0.1781  0.5000  0.3136  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  4  0.1549  0.0000  0.8378  1.0
  Te  Te5  4  0.1599  0.0000  0.3161  1.0
  Te  Te6  2  0.0000  0.5000  0.0000  1.0
]