data_[Tl8Si4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.1186]
_cell_length_b [3.7378]
_cell_length_c [7.6465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl2Si]
_chemical_formula_sum '[Tl8 Si4]'
_cell_volume [337.3011]
_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  2  0.1034  0.0000  0.5243  1
  Tl  Tl1  2  0.2259  0.5000  0.9078  1
  Tl  Tl2  2  0.3338  0.0000  0.3187  1
  Tl  Tl3  2  0.4324  0.0000  0.7826  1
  Si  Si4  2  0.0968  0.5000  0.1839  1
  Si  Si5  2  0.4743  0.5000  0.1161  1
]