# generated using pymatgen
data_TlInS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79230700
_cell_length_b   7.79230708
_cell_length_c   7.79230758
_cell_angle_alpha   28.80348407
_cell_angle_beta   28.80348450
_cell_angle_gamma   28.80348475
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInS2
_chemical_formula_sum   'Tl1 In1 S2'
_cell_volume   97.12147976
_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  -0.00000000  0.00000000  -0.00000000  1.0
  In  In1  1  0.50000000  0.50000000  0.50000000  1.0
  S  S2  1  0.76924234  0.76924234  0.76924234  1.0
  S  S3  1  0.23075766  0.23075766  0.23075766  1.0