# generated using pymatgen
data_Nb3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16617600
_cell_length_b   7.76297485
_cell_length_c   7.76297485
_cell_angle_alpha   83.64323718
_cell_angle_beta   70.56455323
_cell_angle_gamma   70.56455323
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Si
_chemical_formula_sum   'Nb12 Si4'
_cell_volume   276.86278454
_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
  Nb  Nb0  1  0.66117500  0.18101100  0.01764900  1.0
  Nb  Nb1  1  0.85983400  0.81898900  0.98235100  1.0
  Nb  Nb2  1  0.15781400  0.98235100  0.18101100  1.0
  Nb  Nb3  1  0.32117700  0.01764900  0.81898900  1.0
  Nb  Nb4  1  0.99657500  0.37583200  0.66087900  1.0
  Nb  Nb5  1  0.03328600  0.62416800  0.33912100  1.0
  Nb  Nb6  1  0.62759300  0.33912100  0.37583200  1.0
  Nb  Nb7  1  0.34254600  0.66087900  0.62416800  1.0
  Nb  Nb8  1  0.03078200  0.40497900  0.02895500  1.0
  Nb  Nb9  1  0.46471600  0.59502100  0.97104500  1.0
  Nb  Nb10  1  0.56423900  0.97104500  0.40497900  1.0
  Nb  Nb11  1  0.94026300  0.02895500  0.59502100  1.0
  Si  Si12  1  0.48815700  0.32375700  0.73924100  1.0
  Si  Si13  1  0.55115500  0.67624300  0.26075900  1.0
  Si  Si14  1  0.18808600  0.26075900  0.32375700  1.0
  Si  Si15  1  0.77260100  0.73924100  0.67624300  1.0