# generated using pymatgen
data_Tl2Fe3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53704100
_cell_length_b   7.62205807
_cell_length_c   10.84683565
_cell_angle_alpha   69.70276972
_cell_angle_beta   89.48891368
_cell_angle_gamma   89.59965098
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Fe3Se4
_chemical_formula_sum   'Tl4 Fe6 Se8'
_cell_volume   429.32997365
_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  0.00702200  0.74880300  0.74620900  1.0
  Tl  Tl1  1  0.50000000  0.50000000  0.00000000  1.0
  Tl  Tl2  1  0.99297800  0.25119700  0.25379100  1.0
  Tl  Tl3  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe4  1  0.25024700  0.00242800  0.99741200  1.0
  Fe  Fe5  1  0.74975300  0.99757200  0.00258800  1.0
  Fe  Fe6  1  0.74936500  0.74364700  0.25706200  1.0
  Fe  Fe7  1  0.25188000  0.49932600  0.49978500  1.0
  Fe  Fe8  1  0.74812000  0.50067400  0.50021500  1.0
  Fe  Fe9  1  0.25063500  0.25635300  0.74293800  1.0
  Se  Se10  1  0.50431100  0.98301800  0.82465200  1.0
  Se  Se11  1  0.99930700  0.27236900  0.92089500  1.0
  Se  Se12  1  0.00069300  0.72763100  0.07910500  1.0
  Se  Se13  1  0.49568900  0.01698200  0.17534800  1.0
  Se  Se14  1  0.50064000  0.46301200  0.32017500  1.0
  Se  Se15  1  0.00180900  0.78600100  0.42832400  1.0
  Se  Se16  1  0.99819100  0.21399900  0.57167600  1.0
  Se  Se17  1  0.49936000  0.53698800  0.67982500  1.0