# generated using pymatgen
data_Tl(FeS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.70366551
_cell_length_b   7.70366551
_cell_length_c   7.70366551
_cell_angle_alpha   152.77618914
_cell_angle_beta   152.77618914
_cell_angle_gamma   38.88087885
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl(FeS)2
_chemical_formula_sum   'Tl1 Fe2 S2'
_cell_volume   95.51353625
_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
  Fe  Fe1  1  0.75000000  0.25000000  0.50000000  1.0
  Fe  Fe2  1  0.25000000  0.75000000  0.50000000  1.0
  S  S3  1  0.64728300  0.64728300  0.00000000  1.0
  S  S4  1  0.35271700  0.35271700  0.00000000  1.0