# generated using pymatgen
data_Ti4CoS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.26474842
_cell_length_b   6.81807772
_cell_length_c   8.12348213
_cell_angle_alpha   90.00000000
_cell_angle_beta   133.81645849
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4CoS8
_chemical_formula_sum   'Ti8 Co2 S16'
_cell_volume   450.19322236
_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  0.25882800  0.00000000  0.00615500  1
  Ti  Ti1  1  0.24117200  0.50000000  0.99384500  1
  Ti  Ti2  1  0.00000000  0.25744200  0.50000000  1
  Ti  Ti3  1  0.50000000  0.24255800  0.50000000  1
  Ti  Ti4  1  0.75882800  0.50000000  0.00615500  1
  Ti  Ti5  1  0.74117200  0.00000000  0.99384500  1
  Ti  Ti6  1  0.50000000  0.75744200  0.50000000  1
  Ti  Ti7  1  0.00000000  0.74255800  0.50000000  1
  Co  Co8  1  0.00000000  0.00000000  0.00000000  1
  Co  Co9  1  0.50000000  0.50000000  0.00000000  1
  S  S10  1  0.96052100  0.00000000  0.67203600  1
  S  S11  1  0.53947900  0.50000000  0.32796400  1
  S  S12  1  0.95262400  0.50000000  0.66422700  1
  S  S13  1  0.54737600  0.00000000  0.33577300  1
  S  S14  1  0.79775300  0.24527800  0.83528100  1
  S  S15  1  0.79775300  0.75472200  0.83528100  1
  S  S16  1  0.70224700  0.25472200  0.16471900  1
  S  S17  1  0.70224700  0.74527800  0.16471900  1
  S  S18  1  0.46052100  0.50000000  0.67203600  1
  S  S19  1  0.03947900  0.00000000  0.32796400  1
  S  S20  1  0.45262400  0.00000000  0.66422700  1
  S  S21  1  0.04737600  0.50000000  0.33577300  1
  S  S22  1  0.29775300  0.74527800  0.83528100  1
  S  S23  1  0.29775300  0.25472200  0.83528100  1
  S  S24  1  0.20224700  0.75472200  0.16471900  1
  S  S25  1  0.20224700  0.24527800  0.16471900  1
