# generated using pymatgen
data_NbSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.80595947
_cell_length_b   4.80576692
_cell_length_c   6.58815616
_cell_angle_alpha   89.99999739
_cell_angle_beta   90.00000311
_cell_angle_gamma   120.00133472
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2
_chemical_formula_sum   'Nb3 Si6'
_cell_volume   131.77453204
_cell_formula_units_Z   3
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
  Nb  Nb0  1  0.00000002  0.49999999  0.33322956  1.0
  Nb  Nb1  1  0.50000024  0.49999996  0.66676952  1.0
  Nb  Nb2  1  0.49999954  0.00000010  0.00000203  1.0
  Si  Si3  1  0.84191810  0.68383515  0.00000018  1.0
  Si  Si4  1  0.15805863  0.84189613  0.66665826  1.0
  Si  Si5  1  0.68383677  0.84189616  0.33334196  1.0
  Si  Si6  1  0.15808206  0.31616508  0.00000016  1.0
  Si  Si7  1  0.84194148  0.15810378  0.66665835  1.0
  Si  Si8  1  0.31616317  0.15810366  0.33334199  1.0