# generated using pymatgen
data_Ti4FeS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51125244
_cell_length_b   6.51125244
_cell_length_c   8.02558433
_cell_angle_alpha   54.29651346
_cell_angle_beta   54.29651346
_cell_angle_gamma   62.95227070
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4FeS8
_chemical_formula_sum   'Ti4 Fe1 S8'
_cell_volume   220.98467079
_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  0.73841192  0.26158808  0.50000000  1.0
  Ti  Ti1  1  0.26158808  0.73841192  0.50000000  1.0
  Ti  Ti2  1  0.73865018  0.73865018  0.00657694  1.0
  Ti  Ti3  1  0.26134982  0.26134982  0.99342306  1.0
  Fe  Fe4  1  0.00000000  -0.00000000  0.00000000  1.0
  S  S5  1  0.44162698  0.95937820  0.83488693  1.0
  S  S6  1  0.04062180  0.55837302  0.16511307  1.0
  S  S7  1  0.55837302  0.04062180  0.16511307  1.0
  S  S8  1  0.95937820  0.44162698  0.83488693  1.0
  S  S9  1  0.54947429  0.54947429  0.66516384  1.0
  S  S10  1  0.45052571  0.45052571  0.33483616  1.0
  S  S11  1  0.03482396  0.03482396  0.67736115  1.0
  S  S12  1  0.96517604  0.96517604  0.32263885  1.0