data_[Tl8Si10]
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 [P6_3/mcm]
_cell_length_a [9.1891]
_cell_length_b [9.1891]
_cell_length_c [5.6541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Tl4Si5]
_chemical_formula_sum '[Tl8 Si10]'
_cell_volume [413.4717]
_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  6  0.0000  0.3094  0.2500  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Si  Si2  6  0.0000  0.3913  0.7500  1
  Si  Si3  4  0.3333  0.6667  0.5000  1
]