# generated using pymatgen
data_Ti3CoS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63185274
_cell_length_b   6.63185274
_cell_length_c   6.63185332
_cell_angle_alpha   52.86066952
_cell_angle_beta   52.86066080
_cell_angle_gamma   52.86066930
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3CoS6
_chemical_formula_sum   'Ti3 Co1 S6'
_cell_volume   171.71943404
_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  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti1  1  0.16896930  0.16896930  0.16896930  1.0
  Ti  Ti2  1  0.83103070  0.83103070  0.83103070  1.0
  Co  Co3  1  0.00000000  0.00000000  -0.00000000  1.0
  S  S4  1  0.58789547  0.24913288  0.91559800  1.0
  S  S5  1  0.91559800  0.58789547  0.24913288  1.0
  S  S6  1  0.24913288  0.91559800  0.58789547  1.0
  S  S7  1  0.75086712  0.08440200  0.41210453  1.0
  S  S8  1  0.08440200  0.41210453  0.75086712  1.0
  S  S9  1  0.41210453  0.75086712  0.08440200  1.0