# generated using pymatgen
data_TlFe2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00863197
_cell_length_b   7.00863197
_cell_length_c   5.14882300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.88137818
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFe2S3
_chemical_formula_sum   'Tl2 Fe4 S6'
_cell_volume   248.36755336
_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  0.34158100  0.65841900  0.75000000  1.0
  Tl  Tl1  1  0.65841900  0.34158100  0.25000000  1.0
  Fe  Fe2  1  0.14237700  0.14237700  0.00000000  1.0
  Fe  Fe3  1  0.14237700  0.14237700  0.50000000  1.0
  Fe  Fe4  1  0.85762300  0.85762300  0.00000000  1.0
  Fe  Fe5  1  0.85762300  0.85762300  0.50000000  1.0
  S  S6  1  0.88767600  0.11232400  0.75000000  1.0
  S  S7  1  0.11232400  0.88767600  0.25000000  1.0
  S  S8  1  0.38660000  0.16467100  0.75000000  1.0
  S  S9  1  0.16467100  0.38660000  0.25000000  1.0
  S  S10  1  0.61340000  0.83532900  0.25000000  1.0
  S  S11  1  0.83532900  0.61340000  0.75000000  1.0