# generated using pymatgen
data_Ti12SiSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.05905100
_cell_length_b   10.12701962
_cell_length_c   5.09862448
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.13349801
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12SiSe3
_chemical_formula_sum   'Ti24 Si2 Se6'
_cell_volume   519.38632372
_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  0.21633777  0.68286113  0.98819716  1.0
  Ti  Ti1  1  0.78366223  0.31713887  0.98819716  1.0
  Ti  Ti2  1  0.18400083  0.28472296  0.49126097  1.0
  Ti  Ti3  1  0.81599917  0.71527704  0.49126097  1.0
  Ti  Ti4  1  0.28718609  0.81786754  0.51264979  1.0
  Ti  Ti5  1  0.71281391  0.18213246  0.51264979  1.0
  Ti  Ti6  1  0.31739164  0.21595529  0.00812465  1.0
  Ti  Ti7  1  0.68260836  0.78404471  0.00812465  1.0
  Ti  Ti8  1  0.64097266  0.52692129  0.71427392  1.0
  Ti  Ti9  1  0.35902734  0.47307871  0.71427392  1.0
  Ti  Ti10  1  0.02672621  0.85794267  0.21067628  1.0
  Ti  Ti11  1  0.97327379  0.14205733  0.21067628  1.0
  Ti  Ti12  1  0.85790652  0.97363176  0.78907584  1.0
  Ti  Ti13  1  0.14209348  0.02636824  0.78907584  1.0
  Ti  Ti14  1  0.47170631  0.64529584  0.28649628  1.0
  Ti  Ti15  1  0.52829369  0.35470416  0.28649628  1.0
  Ti  Ti16  1  0.10428350  0.58236371  0.46129751  1.0
  Ti  Ti17  1  0.89571650  0.41763629  0.46129751  1.0
  Ti  Ti18  1  0.08258079  0.39738577  0.95900981  1.0
  Ti  Ti19  1  0.91741921  0.60261423  0.95900981  1.0
  Ti  Ti20  1  0.39592356  0.91487387  0.02664330  1.0
  Ti  Ti21  1  0.60407644  0.08512613  0.02664330  1.0
  Ti  Ti22  1  0.41795653  0.10526127  0.55385976  1.0
  Ti  Ti23  1  0.58204347  0.89473873  0.55385976  1.0
  Si  Si24  1  0.46043774  0.70383388  0.78912364  1.0
  Si  Si25  1  0.53956226  0.29616612  0.78912364  1.0
  Se  Se26  1  0.70582046  0.53946991  0.21046817  1.0
  Se  Se27  1  0.29417954  0.46053009  0.21046817  1.0
  Se  Se28  1  0.03879359  0.79304774  0.70930632  1.0
  Se  Se29  1  0.96120641  0.20695226  0.70930632  1.0
  Se  Se30  1  0.79156407  0.96127798  0.28953659  1.0
  Se  Se31  1  0.20843593  0.03872202  0.28953659  1.0