# generated using pymatgen
data_Ti2CS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20542782
_cell_length_b   3.20542851
_cell_length_c   11.22555157
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000362
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CS
_chemical_formula_sum   'Ti4 C2 S2'
_cell_volume   99.88732939
_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  0.33333300  0.66666700  0.40083866  1.0
  Ti  Ti1  1  0.66666700  0.33333300  0.90083866  1.0
  Ti  Ti2  1  0.66666700  0.33333300  0.59916134  1.0
  Ti  Ti3  1  0.33333300  0.66666700  0.09916134  1.0
  C  C4  1  -0.00000000  -0.00000000  0.50000000  1.0
  C  C5  1  -0.00000000  -0.00000000  -0.00000000  1.0
  S  S6  1  0.66666700  0.33333300  0.25000000  1.0
  S  S7  1  0.33333300  0.66666700  0.75000000  1.0