data_[Tl4Si2Sn2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.5147]
_cell_length_b [9.2534]
_cell_length_c [6.7801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tl2SiSnTe4]
_chemical_formula_sum '[Tl4 Si2 Sn2 Te8]'
_cell_volume [659.6856]
_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  0.2358  0.3452  0.4315  1.0
  Si  Si1  2  0.0000  0.1218  0.0186  1.0
  Sn  Sn2  2  0.0000  0.8042  0.4714  1.0
  Te  Te3  4  0.1956  0.2630  0.9195  1.0
  Te  Te4  2  0.0000  0.1103  0.3974  1.0
  Te  Te5  2  0.0000  0.8545  0.9104  1.0
]