# generated using pymatgen
data_Ti2FeS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36221800
_cell_length_b   5.90789136
_cell_length_c   6.64157203
_cell_angle_alpha   115.93128917
_cell_angle_beta   104.66216389
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2FeS4
_chemical_formula_sum   'Ti2 Fe1 S4'
_cell_volume   113.84699030
_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  0.74490200  0.75506200  0.48980400  1.0
  Ti  Ti1  1  0.25509800  0.24493800  0.51019600  1.0
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1.0
  S  S3  1  0.11863100  0.79351000  0.23726200  1.0
  S  S4  1  0.88136900  0.20649000  0.76273800  1.0
  S  S5  1  0.62362500  0.29097400  0.24725000  1.0
  S  S6  1  0.37637500  0.70902600  0.75275000  1.0