# generated using pymatgen
data_Ti12GeSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61776784
_cell_length_b   7.60837917
_cell_length_c   7.64479423
_cell_angle_alpha   96.63835118
_cell_angle_beta   96.25495184
_cell_angle_gamma   141.07959890
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12GeSe3
_chemical_formula_sum   'Ti12 Ge1 Se3'
_cell_volume   262.07657161
_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  0.31785780  0.29505077  0.18782695  1.0
  Ti  Ti1  1  0.10736389  0.13223216  0.81455121  1.0
  Ti  Ti2  1  0.86825600  0.67997499  0.97747368  1.0
  Ti  Ti3  1  0.70321487  0.89111562  0.02194412  1.0
  Ti  Ti4  1  0.00038935  0.33558267  0.37998233  1.0
  Ti  Ti5  1  0.94848662  0.61574807  0.61711298  1.0
  Ti  Ti6  1  0.38570618  0.00593184  0.33632695  1.0
  Ti  Ti7  1  0.66348033  0.04406218  0.66810537  1.0
  Ti  Ti8  1  0.97282006  0.94011957  0.39884637  1.0
  Ti  Ti9  1  0.54122325  0.57210035  0.59899457  1.0
  Ti  Ti10  1  0.42614476  0.02768778  0.96686109  1.0
  Ti  Ti11  1  0.06646588  0.46245416  0.03325451  1.0
  Ge  Ge12  1  0.23112409  0.55755451  0.74236596  1.0
  Se  Se13  1  0.51238665  0.76579035  0.32805124  1.0
  Se  Se14  1  0.43696453  0.18351530  0.67501698  1.0
  Se  Se15  1  0.81811574  0.49107967  0.25328669  1.0