# generated using pymatgen
data_Tl6S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57150588
_cell_length_b   6.57150588
_cell_length_c   6.00961500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999880
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl6S
_chemical_formula_sum   'Tl6 S1'
_cell_volume   224.75382367
_cell_formula_units_Z   1
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  1  0.35012200  0.35012200  0.99221900  1.0
  Tl  Tl1  1  0.61500800  0.61500800  0.47641200  1.0
  Tl  Tl2  1  0.38499200  0.00000000  0.47641200  1.0
  Tl  Tl3  1  0.00000000  0.64987800  0.99221900  1.0
  Tl  Tl4  1  0.00000000  0.38499200  0.47641200  1.0
  Tl  Tl5  1  0.64987800  0.00000000  0.99221900  1.0
  S  S6  1  0.00000000  0.00000000  0.69683800  1.0