# generated using pymatgen
data_Nb3Fe8Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78356330
_cell_length_b   4.78356330
_cell_length_c   7.77386221
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Fe8Si
_chemical_formula_sum   'Nb3 Fe8 Si1'
_cell_volume   154.05312796
_cell_formula_units_Z   1
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  0.33333300  0.66666700  0.44503300  1
  Nb  Nb1  1  0.33333300  0.66666700  0.06813900  1
  Nb  Nb2  1  0.66666700  0.33333300  0.91575800  1
  Fe  Fe3  1  0.00000000  0.00000000  0.50196900  1
  Fe  Fe4  1  0.00000000  0.00000000  0.00904400  1
  Fe  Fe5  1  0.16837000  0.33674000  0.74998900  1
  Fe  Fe6  1  0.16837000  0.83163000  0.74998900  1
  Fe  Fe7  1  0.66326000  0.83163000  0.74998900  1
  Fe  Fe8  1  0.83025400  0.66050700  0.25280300  1
  Fe  Fe9  1  0.83025400  0.16974600  0.25280300  1
  Fe  Fe10  1  0.33949300  0.16974600  0.25280300  1
  Si  Si11  1  0.66666700  0.33333300  0.55160600  1
