# generated using pymatgen
data_TlInS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90447269
_cell_length_b   4.90447269
_cell_length_c   6.63336096
_cell_angle_alpha   67.23990732
_cell_angle_beta   67.23990732
_cell_angle_gamma   72.86138592
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInS2
_chemical_formula_sum   'Tl1 In1 S2'
_cell_volume   133.68917908
_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  0.00000000  0.00000000  0.50000000  1.0
  S  S2  1  0.58368800  0.58368800  0.81718300  1.0
  S  S3  1  0.41631200  0.41631200  0.18281700  1.0