# generated using pymatgen
data_Ti2FeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00431769
_cell_length_b   7.00431769
_cell_length_c   6.25786089
_cell_angle_alpha   63.58381147
_cell_angle_beta   63.58381147
_cell_angle_gamma   29.43341845
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2FeSe4
_chemical_formula_sum   'Ti2 Fe1 Se4'
_cell_volume   133.96209982
_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  0.25055200  0.25055200  0.76869400  1.0
  Ti  Ti1  1  0.74944800  0.74944800  0.23130600  1.0
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se3  1  0.37531300  0.37531300  0.29512300  1.0
  Se  Se4  1  0.11635400  0.11635400  0.21714300  1.0
  Se  Se5  1  0.62468700  0.62468700  0.70487700  1.0
  Se  Se6  1  0.88364600  0.88364600  0.78285700  1.0