data_[Tl8Sn4Sb4Te20]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3231]
_cell_length_b [21.0775]
_cell_length_c [14.0073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2SnSbTe5]
_chemical_formula_sum '[Tl8 Sn4 Sb4 Te20]'
_cell_volume [1276.3388]
_cell_formula_units_Z [4]
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  0.0000  0.1178  0.6798  1.0
  Tl  Tl1  4  0.0000  0.1305  0.3257  1.0
  Sn  Sn2  4  0.0000  0.4403  0.4252  1.0
  Sb  Sb3  4  0.0000  0.2123  0.0306  1.0
  Te  Te4  4  0.0000  0.0393  0.0552  1.0
  Te  Te5  4  0.0000  0.2834  0.6794  1.0
  Te  Te6  4  0.0000  0.3120  0.3643  1.0
  Te  Te7  4  0.0000  0.3452  0.0012  1.0
  Te  Te8  4  0.0000  0.4848  0.7625  1.0
]