# generated using pymatgen
data_TiMnSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.65931157
_cell_length_b   9.48169786
_cell_length_c   7.71938296
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMnSi2
_chemical_formula_sum   'Ti12 Mn12 Si24'
_cell_volume   633.79975253
_cell_formula_units_Z   12
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  0.00000000  0.16798900  0.82084900  1
  Ti  Ti1  1  0.23989100  0.17166800  0.54699900  1
  Ti  Ti2  1  0.76010900  0.32833200  0.04699900  1
  Ti  Ti3  1  0.76010900  0.67166800  0.95300100  1
  Ti  Ti4  1  0.76010900  0.17166800  0.54699900  1
  Ti  Ti5  1  0.76010900  0.82833200  0.45300100  1
  Ti  Ti6  1  0.23989100  0.67166800  0.95300100  1
  Ti  Ti7  1  0.23989100  0.32833200  0.04699900  1
  Ti  Ti8  1  0.00000000  0.33201100  0.32084900  1
  Ti  Ti9  1  0.00000000  0.66798900  0.67915100  1
  Ti  Ti10  1  0.00000000  0.83201100  0.17915100  1
  Ti  Ti11  1  0.23989100  0.82833200  0.45300100  1
  Mn  Mn12  1  0.24770300  0.08474500  0.25308600  1
  Mn  Mn13  1  0.24770300  0.58474500  0.24691400  1
  Mn  Mn14  1  0.24770300  0.41525500  0.75308600  1
  Mn  Mn15  1  0.75229700  0.08474500  0.25308600  1
  Mn  Mn16  1  0.75229700  0.91525500  0.74691400  1
  Mn  Mn17  1  0.75229700  0.41525500  0.75308600  1
  Mn  Mn18  1  0.75229700  0.58474500  0.24691400  1
  Mn  Mn19  1  0.24770300  0.91525500  0.74691400  1
  Mn  Mn20  1  0.24363800  0.00000000  0.00000000  1
  Mn  Mn21  1  0.75636200  0.50000000  0.50000000  1
  Mn  Mn22  1  0.75636200  0.00000000  0.00000000  1
  Mn  Mn23  1  0.24363800  0.50000000  0.50000000  1
  Si  Si24  1  0.50000000  0.03749100  0.37598200  1
  Si  Si25  1  0.00000000  0.46173200  0.87939200  1
  Si  Si26  1  0.00000000  0.53826800  0.12060800  1
  Si  Si27  1  0.00000000  0.96173200  0.62060800  1
  Si  Si28  1  0.00000000  0.03826800  0.37939200  1
  Si  Si29  1  0.00000000  0.37014100  0.60385900  1
  Si  Si30  1  0.00000000  0.62985900  0.39614100  1
  Si  Si31  1  0.00000000  0.87014100  0.89614100  1
  Si  Si32  1  0.50000000  0.37491400  0.59743400  1
  Si  Si33  1  0.50000000  0.62508600  0.40256600  1
  Si  Si34  1  0.50000000  0.87491400  0.90256600  1
  Si  Si35  1  0.50000000  0.12508600  0.09743400  1
  Si  Si36  1  0.50000000  0.46250900  0.87598200  1
  Si  Si37  1  0.50000000  0.53749100  0.12401800  1
  Si  Si38  1  0.50000000  0.96250900  0.62401800  1
  Si  Si39  1  0.00000000  0.12985900  0.10385900  1
  Si  Si40  1  0.34604200  0.33220400  0.31750300  1
  Si  Si41  1  0.65395800  0.83220400  0.18249700  1
  Si  Si42  1  0.34604200  0.83220400  0.18249700  1
  Si  Si43  1  0.65395800  0.16779600  0.81750300  1
  Si  Si44  1  0.65395800  0.66779600  0.68249700  1
  Si  Si45  1  0.65395800  0.33220400  0.31750300  1
  Si  Si46  1  0.34604200  0.16779600  0.81750300  1
  Si  Si47  1  0.34604200  0.66779600  0.68249700  1
