# generated using pymatgen
data_Tl3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73629423
_cell_length_b   6.73629423
_cell_length_c   5.78818300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000228
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3S
_chemical_formula_sum   'Tl6 S2'
_cell_volume   227.46520448
_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  0.17165000  0.34330000  0.25000000  1.0
  Tl  Tl1  1  0.65670000  0.82835000  0.25000000  1.0
  Tl  Tl2  1  0.17165000  0.82835000  0.25000000  1.0
  Tl  Tl3  1  0.82835000  0.65670000  0.75000000  1.0
  Tl  Tl4  1  0.34330000  0.17165000  0.75000000  1.0
  Tl  Tl5  1  0.82835000  0.17165000  0.75000000  1.0
  S  S6  1  0.33333300  0.66666700  0.75000000  1.0
  S  S7  1  0.66666700  0.33333300  0.25000000  1.0