# generated using pymatgen
data_NbFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23130879
_cell_length_b   3.68283816
_cell_length_c   7.13281596
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeSi
_chemical_formula_sum   'Nb4 Fe4 Si4'
_cell_volume   163.69029301
_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  0.25000000  0.52429800  0.18205100  1
  Nb  Nb1  1  0.75000000  0.47570200  0.81794900  1
  Nb  Nb2  1  0.75000000  0.97570200  0.68205100  1
  Nb  Nb3  1  0.25000000  0.02429800  0.31794900  1
  Fe  Fe4  1  0.25000000  0.64096000  0.56025600  1
  Fe  Fe5  1  0.75000000  0.35904000  0.43974400  1
  Fe  Fe6  1  0.75000000  0.85904000  0.06025600  1
  Fe  Fe7  1  0.25000000  0.14096000  0.93974400  1
  Si  Si8  1  0.25000000  0.77171000  0.87781000  1
  Si  Si9  1  0.75000000  0.22829000  0.12219000  1
  Si  Si10  1  0.75000000  0.72829000  0.37781000  1
  Si  Si11  1  0.25000000  0.27171000  0.62219000  1
