data_[Tl4Si4Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.4617]
_cell_length_b [6.3373]
_cell_length_c [14.9476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.8913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlSiTe3]
_chemical_formula_sum '[Tl4 Si4 Te12]'
_cell_volume [697.6099]
_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  0.1143  0.7264  0.6895  1.0
  Si  Si1  4  0.3853  0.5975  0.5444  1.0
  Te  Te2  4  0.0730  0.7483  0.9222  1.0
  Te  Te3  4  0.3883  0.2274  0.4740  1.0
  Te  Te4  4  0.4768  0.0789  0.7437  1.0
]