# generated using pymatgen
data_Tl2Fe3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53271500
_cell_length_b   7.29715900
_cell_length_c   11.24201171
_cell_angle_alpha   67.56831944
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Fe3Se4
_chemical_formula_sum   'Tl4 Fe6 Se8'
_cell_volume   419.53251747
_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  0.01259100  0.50000000  0.75000000  1.0
  Tl  Tl1  1  0.50000000  0.50000000  0.50000000  1.0
  Tl  Tl2  1  0.98740900  0.50000000  0.25000000  1.0
  Tl  Tl3  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe4  1  0.25045100  0.99776200  0.50117500  1.0
  Fe  Fe5  1  0.74954900  0.00223800  0.49882500  1.0
  Fe  Fe6  1  0.75007600  0.00000000  0.25000000  1.0
  Fe  Fe7  1  0.25045100  0.00223800  0.99882500  1.0
  Fe  Fe8  1  0.74954900  0.99776200  0.00117500  1.0
  Fe  Fe9  1  0.24992400  0.00000000  0.75000000  1.0
  Se  Se10  1  0.50158500  0.79960600  0.67522000  1.0
  Se  Se11  1  0.00249700  0.19957500  0.57648300  1.0
  Se  Se12  1  0.99750300  0.80042500  0.42351700  1.0
  Se  Se13  1  0.49841500  0.20039400  0.32478000  1.0
  Se  Se14  1  0.49841500  0.79960600  0.17522000  1.0
  Se  Se15  1  0.99750300  0.19957500  0.07648300  1.0
  Se  Se16  1  0.00249700  0.80042500  0.92351700  1.0
  Se  Se17  1  0.50158500  0.20039400  0.82478000  1.0