# generated using pymatgen
data_Ti4CoS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63771092
_cell_length_b   6.63771092
_cell_length_c   8.17714866
_cell_angle_alpha   53.61931895
_cell_angle_beta   53.61931895
_cell_angle_gamma   61.96366904
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4CoS8
_chemical_formula_sum   'Ti4 Co1 S8'
_cell_volume   229.60785193
_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  0.25689227  0.25689227  0.99487371  1.0
  Ti  Ti1  1  0.74310773  0.74310773  0.00512629  1.0
  Ti  Ti2  1  0.25818724  0.74181276  0.50000000  1.0
  Ti  Ti3  1  0.74181276  0.25818724  0.50000000  1.0
  Co  Co4  1  0.00000000  0.00000000  -0.00000000  1.0
  S  S5  1  0.96446329  0.96446329  0.32860678  1.0
  S  S6  1  0.03553671  0.03553671  0.67139322  1.0
  S  S7  1  0.45571261  0.45571261  0.33421096  1.0
  S  S8  1  0.54428739  0.54428739  0.66578904  1.0
  S  S9  1  0.03936651  0.54725897  0.16702114  1.0
  S  S10  1  0.54725897  0.03936651  0.16702214  1.0
  S  S11  1  0.96063349  0.45274103  0.83297886  1.0
  S  S12  1  0.45274103  0.96063349  0.83297786  1.0