# generated using pymatgen
data_Th2Nb3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.20821043
_cell_length_b   7.20821043
_cell_length_c   13.35243256
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Nb3Si4
_chemical_formula_sum   'Th8 Nb12 Si16'
_cell_volume   693.76966380
_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
  Th  Th0  1  0.00024899  0.33796270  0.21777026  1.0
  Th  Th1  1  0.99975101  0.66203730  0.71777026  1.0
  Th  Th2  1  0.16203730  0.50024899  0.46777026  1.0
  Th  Th3  1  0.49975101  0.83796270  0.03222974  1.0
  Th  Th4  1  0.83796270  0.49975101  0.96777026  1.0
  Th  Th5  1  0.50024899  0.16203730  0.53222974  1.0
  Th  Th6  1  0.33796270  0.00024899  0.78222974  1.0
  Th  Th7  1  0.66203730  0.99975101  0.28222974  1.0
  Nb  Nb8  1  0.16927851  0.16927851  0.00000000  1.0
  Nb  Nb9  1  0.83072149  0.83072149  0.50000000  1.0
  Nb  Nb10  1  0.33072149  0.66927851  0.25000000  1.0
  Nb  Nb11  1  0.66927851  0.33072149  0.75000000  1.0
  Nb  Nb12  1  0.15912013  0.99465004  0.37423408  1.0
  Nb  Nb13  1  0.84087987  0.00534996  0.87423408  1.0
  Nb  Nb14  1  0.50534996  0.65912013  0.62423408  1.0
  Nb  Nb15  1  0.34087987  0.49465004  0.87576592  1.0
  Nb  Nb16  1  0.49465004  0.34087987  0.12423408  1.0
  Nb  Nb17  1  0.65912013  0.50534996  0.37576592  1.0
  Nb  Nb18  1  0.99465004  0.15912013  0.62576592  1.0
  Nb  Nb19  1  0.00534996  0.84087987  0.12576592  1.0
  Si  Si20  1  0.28779232  0.04147978  0.18634957  1.0
  Si  Si21  1  0.71220768  0.95852022  0.68634957  1.0
  Si  Si22  1  0.45852022  0.78779232  0.43634957  1.0
  Si  Si23  1  0.21220768  0.54147978  0.06365043  1.0
  Si  Si24  1  0.54147978  0.21220768  0.93634957  1.0
  Si  Si25  1  0.78779232  0.45852022  0.56365043  1.0
  Si  Si26  1  0.04147978  0.28779232  0.81365043  1.0
  Si  Si27  1  0.95852022  0.71220768  0.31365043  1.0
  Si  Si28  1  0.37572601  0.29725184  0.31427834  1.0
  Si  Si29  1  0.62427399  0.70274816  0.81427834  1.0
  Si  Si30  1  0.20274816  0.87572601  0.56427834  1.0
  Si  Si31  1  0.12427399  0.79725184  0.93572166  1.0
  Si  Si32  1  0.79725184  0.12427399  0.06427834  1.0
  Si  Si33  1  0.87572601  0.20274816  0.43572166  1.0
  Si  Si34  1  0.29725184  0.37572601  0.68572166  1.0
  Si  Si35  1  0.70274816  0.62427399  0.18572166  1.0