# generated using pymatgen
data_Lu2Ti3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96765742
_cell_length_b   6.96765742
_cell_length_c   12.76831995
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu2Ti3Si4
_chemical_formula_sum   'Lu8 Ti12 Si16'
_cell_volume   619.87958796
_cell_formula_units_Z   4
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
  Lu  Lu0  1  0.34108770  0.00069817  0.46652310  1.0
  Lu  Lu1  1  0.49930183  0.84108770  0.71652310  1.0
  Lu  Lu2  1  0.50069817  0.15891230  0.21652310  1.0
  Lu  Lu3  1  0.84108770  0.49930183  0.28347690  1.0
  Lu  Lu4  1  0.15891230  0.50069817  0.78347690  1.0
  Lu  Lu5  1  0.65891230  0.99930183  0.96652310  1.0
  Lu  Lu6  1  0.00069817  0.34108770  0.53347690  1.0
  Lu  Lu7  1  0.99930183  0.65891230  0.03347690  1.0
  Ti  Ti8  1  0.32779893  0.32779893  0.00000000  1.0
  Ti  Ti9  1  0.17220107  0.82779893  0.25000000  1.0
  Ti  Ti10  1  0.82779893  0.17220107  0.75000000  1.0
  Ti  Ti11  1  0.67220107  0.67220107  0.50000000  1.0
  Ti  Ti12  1  0.15084381  0.00701750  0.87552327  1.0
  Ti  Ti13  1  0.49298250  0.65084381  0.12552327  1.0
  Ti  Ti14  1  0.50701750  0.34915619  0.62552327  1.0
  Ti  Ti15  1  0.65084381  0.49298250  0.87447673  1.0
  Ti  Ti16  1  0.34915619  0.50701750  0.37447673  1.0
  Ti  Ti17  1  0.84915619  0.99298250  0.37552327  1.0
  Ti  Ti18  1  0.00701750  0.15084381  0.12447673  1.0
  Ti  Ti19  1  0.99298250  0.84915619  0.62447673  1.0
  Si  Si20  1  0.20473820  0.13297688  0.68194555  1.0
  Si  Si21  1  0.36702312  0.70473820  0.93194555  1.0
  Si  Si22  1  0.63297688  0.29526180  0.43194555  1.0
  Si  Si23  1  0.70473820  0.36702312  0.06805445  1.0
  Si  Si24  1  0.29526180  0.63297688  0.56805445  1.0
  Si  Si25  1  0.79526180  0.86702312  0.18194555  1.0
  Si  Si26  1  0.13297688  0.20473820  0.31805445  1.0
  Si  Si27  1  0.86702312  0.79526180  0.81805445  1.0
  Si  Si28  1  0.29284372  0.95273317  0.06424071  1.0
  Si  Si29  1  0.54726683  0.79284372  0.31424071  1.0
  Si  Si30  1  0.45273317  0.20715628  0.81424071  1.0
  Si  Si31  1  0.79284372  0.54726683  0.68575929  1.0
  Si  Si32  1  0.20715628  0.45273317  0.18575929  1.0
  Si  Si33  1  0.70715628  0.04726683  0.56424071  1.0
  Si  Si34  1  0.95273317  0.29284372  0.93575929  1.0
  Si  Si35  1  0.04726683  0.70715628  0.43575929  1.0