# generated using pymatgen
data_Tl2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81045513
_cell_length_b   12.01791922
_cell_length_c   56.82976726
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.08926607
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2S3
_chemical_formula_sum   'Tl4 S6'
_cell_volume   6116.77620778
_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  1  0.00000000  0.00000000  0.50000000  1.0
  Tl  Tl1  1  0.50000000  0.50000000  0.00000000  1.0
  Tl  Tl2  1  -0.00000000  0.50000000  0.00000000  1.0
  Tl  Tl3  1  0.00000000  -0.00000000  0.00000000  1.0
  S  S4  1  -0.00000000  0.00000000  0.74990164  1.0
  S  S5  1  -0.00000000  0.00000000  0.25009836  1.0
  S  S6  1  0.76346261  0.73455269  -0.00000000  1.0
  S  S7  1  0.23653739  0.26544731  0.00000000  1.0
  S  S8  1  0.02890992  0.26544731  -0.00000000  1.0
  S  S9  1  0.97109008  0.73455269  0.00000000  1.0