# generated using pymatgen
data_ThNbSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14637211
_cell_length_b   6.14637151
_cell_length_c   5.78575974
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999792
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThNbSi3
_chemical_formula_sum   'Th2 Nb2 Si6'
_cell_volume   189.29044503
_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
  Th  Th0  1  0.66666600  0.33333400  0.25000100  1.0
  Th  Th1  1  0.33333300  0.66666600  0.75000000  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.50000000  1.0
  Si  Si4  1  0.20487991  0.40975983  0.25000100  1.0
  Si  Si5  1  0.20487891  0.79512009  0.25000100  1.0
  Si  Si6  1  0.59024117  0.79512009  0.25000100  1.0
  Si  Si7  1  0.40975983  0.20487991  0.75000000  1.0
  Si  Si8  1  0.79512109  0.20487991  0.75000000  1.0
  Si  Si9  1  0.79512009  0.59024017  0.75000000  1.0