# generated using pymatgen
data_TlS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71619398
_cell_length_b   7.71619398
_cell_length_c   3.53338400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999982
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlS3
_chemical_formula_sum   'Tl2 S6'
_cell_volume   182.19134604
_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  0.33333300  0.66666700  0.75000000  1.0
  Tl  Tl1  1  0.66666700  0.33333300  0.25000000  1.0
  S  S2  1  0.13556400  0.27112900  0.25000000  1.0
  S  S3  1  0.72887100  0.86443600  0.25000000  1.0
  S  S4  1  0.13556400  0.86443600  0.25000000  1.0
  S  S5  1  0.86443600  0.72887100  0.75000000  1.0
  S  S6  1  0.27112900  0.13556400  0.75000000  1.0
  S  S7  1  0.86443600  0.13556400  0.75000000  1.0