# generated using pymatgen
data_Ti6PC2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35219684
_cell_length_b   5.35219942
_cell_length_c   7.93914880
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.16669800
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6PC2S
_chemical_formula_sum   'Ti6 P1 C2 S1'
_cell_volume   129.90308631
_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  0.63250710  0.36749390  0.05733773  1.0
  Ti  Ti1  1  0.93520891  0.06479209  0.25000000  1.0
  Ti  Ti2  1  0.63250710  0.36749390  0.44266227  1.0
  Ti  Ti3  1  0.36760740  0.63239360  0.55701032  1.0
  Ti  Ti4  1  0.06144403  0.93855697  0.75000000  1.0
  Ti  Ti5  1  0.36760740  0.63239360  0.94298868  1.0
  P  P6  1  0.74528931  0.25471169  0.75000000  1.0
  C  C7  1  0.00074588  0.99925412  0.00208859  1.0
  C  C8  1  0.00074588  0.99925412  0.49791041  1.0
  S  S9  1  0.25634099  0.74366001  0.25000000  1.0