data_[Tl2Si2Sn2Te8]
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 [P2_1/m]
_cell_length_a [7.6798]
_cell_length_b [6.7295]
_cell_length_c [9.9072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlSiSnTe4]
_chemical_formula_sum '[Tl2 Si2 Sn2 Te8]'
_cell_volume [490.0075]
_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  2  0.2429  0.2500  0.0672  1.0
  Si  Si1  2  0.2194  0.7500  0.3096  1.0
  Sn  Sn2  2  0.2777  0.2500  0.5666  1.0
  Te  Te3  4  0.0290  0.5107  0.7508  1.0
  Te  Te4  2  0.3924  0.7500  0.5682  1.0
  Te  Te5  2  0.4286  0.7500  0.1555  1.0
]