# generated using pymatgen
data_Ti3CoS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86052772
_cell_length_b   5.86052772
_cell_length_c   16.88302561
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3CoS6
_chemical_formula_sum   'Ti9 Co3 S18'
_cell_volume   502.17415782
_cell_formula_units_Z   3
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  0.66666700  0.33333300  0.83333300  1
  Ti  Ti1  1  0.33333300  0.66666700  0.83606800  1
  Ti  Ti2  1  0.66666700  0.33333300  0.16393200  1
  Ti  Ti3  1  0.33333300  0.66666700  0.16666700  1
  Ti  Ti4  1  0.00000000  0.00000000  0.16940200  1
  Ti  Ti5  1  0.33333300  0.66666700  0.49726500  1
  Ti  Ti6  1  0.00000000  0.00000000  0.50000000  1
  Ti  Ti7  1  0.66666700  0.33333300  0.50273500  1
  Ti  Ti8  1  0.00000000  0.00000000  0.83059800  1
  Co  Co9  1  0.00000000  0.00000000  0.00000000  1
  Co  Co10  1  0.66666700  0.33333300  0.33333300  1
  Co  Co11  1  0.33333300  0.66666700  0.66666700  1
  S  S12  1  0.32916300  0.00213000  0.91980600  1
  S  S13  1  0.67296700  0.67083700  0.91980600  1
  S  S14  1  0.99787000  0.32703300  0.91980600  1
  S  S15  1  0.00213000  0.67296700  0.08019400  1
  S  S16  1  0.32703300  0.32916300  0.08019400  1
  S  S17  1  0.67083700  0.99787000  0.08019400  1
  S  S18  1  0.99583000  0.33546300  0.25313900  1
  S  S19  1  0.33963400  0.00417000  0.25313900  1
  S  S20  1  0.66453700  0.66036600  0.25313900  1
  S  S21  1  0.66879700  0.00630000  0.41352700  1
  S  S22  1  0.99370000  0.66249700  0.41352700  1
  S  S23  1  0.33750300  0.33120300  0.41352700  1
  S  S24  1  0.66249700  0.66879700  0.58647300  1
  S  S25  1  0.00630000  0.33750300  0.58647300  1
  S  S26  1  0.33120300  0.99370000  0.58647300  1
  S  S27  1  0.33546300  0.33963400  0.74686100  1
  S  S28  1  0.66036600  0.99583000  0.74686100  1
  S  S29  1  0.00417000  0.66453700  0.74686100  1
