data_[Tl8Sn2Te10]
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 [I4]
_cell_length_a [10.0100]
_cell_length_b [10.0100]
_cell_length_c [6.8489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Tl4SnTe5]
_chemical_formula_sum '[Tl8 Sn2 Te10]'
_cell_volume [686.2645]
_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  8  0.0902  0.3086  0.4999  1.0
  Sn  Sn1  2  0.0000  0.0000  0.0606  1.0
  Te  Te2  8  0.1022  0.2798  0.9912  1.0
  Te  Te3  2  0.0000  0.0000  0.4852  1.0
]