# generated using pymatgen
data_TlS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00266798
_cell_length_b   4.00266850
_cell_length_c   7.66040503
_cell_angle_alpha   74.85534441
_cell_angle_beta   74.85534358
_cell_angle_gamma   60.00000429
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlS
_chemical_formula_sum   'Tl2 S2'
_cell_volume   101.33555868
_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  0.00000000  1.0
  Tl  Tl1  1  0.50000000  0.50000000  0.50000000  1.0
  S  S2  1  0.73510346  0.73510346  0.79468962  1.0
  S  S3  1  0.26489654  0.26489654  0.20531038  1.0