# generated using pymatgen
data_Ti4FeSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98634610
_cell_length_b   6.98634610
_cell_length_c   8.57960824
_cell_angle_alpha   53.16596903
_cell_angle_beta   53.16596903
_cell_angle_gamma   61.24666379
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4FeSe8
_chemical_formula_sum   'Ti4 Fe1 Se8'
_cell_volume   263.37889128
_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
  Ti  Ti0  1  0.73837900  0.26162100  0.50000000  1.0
  Ti  Ti1  1  0.26162100  0.73837900  0.50000000  1.0
  Ti  Ti2  1  0.74645700  0.74645700  0.00951500  1.0
  Ti  Ti3  1  0.25354300  0.25354300  0.99048500  1.0
  Fe  Fe4  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se5  1  0.45346900  0.45346900  0.33098000  1.0
  Se  Se6  1  0.54653100  0.54653100  0.66902000  1.0
  Se  Se7  1  0.54376100  0.04833900  0.16917000  1.0
  Se  Se8  1  0.45623900  0.95166100  0.83083000  1.0
  Se  Se9  1  0.95166100  0.45623900  0.83083000  1.0
  Se  Se10  1  0.04833900  0.54376100  0.16917000  1.0
  Se  Se11  1  0.95564300  0.95564300  0.33522200  1.0
  Se  Se12  1  0.04435700  0.04435700  0.66477800  1.0