# generated using pymatgen
data_Ti12GaS16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84026698
_cell_length_b   9.45507560
_cell_length_c   10.05580519
_cell_angle_alpha   118.03056109
_cell_angle_beta   109.88525933
_cell_angle_gamma   90.00918925
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12GaS16
_chemical_formula_sum   'Ti12 Ga1 S16'
_cell_volume   529.71912233
_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  0.55682260  0.35311298  0.86579737  1.0
  Ti  Ti1  1  0.05923331  0.35447558  0.86662554  1.0
  Ti  Ti2  1  0.36949134  0.13339651  0.48737874  1.0
  Ti  Ti3  1  0.86819565  0.13407574  0.48783053  1.0
  Ti  Ti4  1  0.44695648  0.51209024  0.64634960  1.0
  Ti  Ti5  1  0.94865545  0.51246923  0.64592809  1.0
  Ti  Ti6  1  0.94076669  0.64552442  0.13337446  1.0
  Ti  Ti7  1  0.44317740  0.64688702  0.13420263  1.0
  Ti  Ti8  1  0.13180435  0.86592426  0.51216947  1.0
  Ti  Ti9  1  0.63050866  0.86660349  0.51262126  1.0
  Ti  Ti10  1  0.05134455  0.48753077  0.35407191  1.0
  Ti  Ti11  1  0.55304352  0.48790976  0.35365040  1.0
  Ga  Ga12  1  0.00000000  0.00000000  0.00000000  1.0
  S  S13  1  0.97216895  0.04815956  0.69333197  1.0
  S  S14  1  0.47110447  0.04836866  0.69240378  1.0
  S  S15  1  0.80295655  0.30763150  0.35615470  1.0
  S  S16  1  0.30294602  0.30716316  0.35503105  1.0
  S  S17  1  0.10147089  0.64569864  0.95240450  1.0
  S  S18  1  0.60063150  0.64361481  0.95139330  1.0
  S  S19  1  0.52889553  0.95163134  0.30759622  1.0
  S  S20  1  0.02783105  0.95184044  0.30666803  1.0
  S  S21  1  0.69705398  0.69283684  0.64496895  1.0
  S  S22  1  0.19704345  0.69236850  0.64384530  1.0
  S  S23  1  0.39936850  0.35638519  0.04860670  1.0
  S  S24  1  0.89852911  0.35430136  0.04759550  1.0
  S  S25  1  0.79198097  0.66691658  0.33354048  1.0
  S  S26  1  0.29161924  0.66631670  0.33318281  1.0
  S  S27  1  0.70838076  0.33368330  0.66681719  1.0
  S  S28  1  0.20801903  0.33308342  0.66645952  1.0