# generated using pymatgen
data_Ti3CS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38956147
_cell_length_b   5.38956383
_cell_length_c   7.88285592
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.61852955
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3CS
_chemical_formula_sum   'Ti6 C2 S2'
_cell_volume   129.30297771
_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
  Ti  Ti0  1  0.63219989  0.36780111  0.05912378  1.0
  Ti  Ti1  1  0.93518044  0.06482056  0.25000000  1.0
  Ti  Ti2  1  0.63219989  0.36780111  0.44087622  1.0
  Ti  Ti3  1  0.36780111  0.63219989  0.55912278  1.0
  Ti  Ti4  1  0.06482056  0.93518044  0.75000000  1.0
  Ti  Ti5  1  0.36780111  0.63219989  0.94087622  1.0
  C  C6  1  0.00000000  0.00000000  0.00000000  1.0
  C  C7  1  0.00000000  0.00000000  0.49999900  1.0
  S  S8  1  0.25821362  0.74178738  0.25000000  1.0
  S  S9  1  0.74178738  0.25821362  0.75000000  1.0