# generated using pymatgen
data_Ti3CoS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76006848
_cell_length_b   5.76006848
_cell_length_c   11.43788640
_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   'Ti6 Co2 S12'
_cell_volume   328.64853743
_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  0.00000000  0.00000000  0.00000000  1
  Ti  Ti1  1  0.00000000  0.00000000  0.50000000  1
  Ti  Ti2  1  0.33333300  0.66666700  0.50501400  1
  Ti  Ti3  1  0.66666700  0.33333300  0.00501400  1
  Ti  Ti4  1  0.66666700  0.33333300  0.49498600  1
  Ti  Ti5  1  0.33333300  0.66666700  0.99498600  1
  Co  Co6  1  0.33333300  0.66666700  0.25000000  1
  Co  Co7  1  0.66666700  0.33333300  0.75000000  1
  S  S8  1  0.33043100  0.98837700  0.13138900  1
  S  S9  1  0.01162300  0.34205400  0.13138900  1
  S  S10  1  0.66956900  0.01162300  0.63138900  1
  S  S11  1  0.98837700  0.33043100  0.86861100  1
  S  S12  1  0.65794600  0.66956900  0.13138900  1
  S  S13  1  0.98837700  0.65794600  0.63138900  1
  S  S14  1  0.34205400  0.01162300  0.86861100  1
  S  S15  1  0.01162300  0.66956900  0.36861100  1
  S  S16  1  0.34205400  0.33043100  0.63138900  1
  S  S17  1  0.65794600  0.98837700  0.36861100  1
  S  S18  1  0.66956900  0.65794600  0.86861100  1
  S  S19  1  0.33043100  0.34205400  0.36861100  1
