# generated using pymatgen
data_NbFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.60507356
_cell_length_b   9.19769366
_cell_length_c   4.95401999
_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   164.26718931
_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  0.00000000  0.71046900  0.75000000  1
  Nb  Nb1  1  0.00000000  0.28953100  0.25000000  1
  Nb  Nb2  1  0.50000000  0.21046900  0.75000000  1
  Nb  Nb3  1  0.50000000  0.78953100  0.25000000  1
  Fe  Fe4  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe5  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe6  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe7  1  0.00000000  0.00000000  0.00000000  1
  Si  Si8  1  0.00000000  0.58313100  0.25000000  1
  Si  Si9  1  0.00000000  0.41686900  0.75000000  1
  Si  Si10  1  0.50000000  0.08313100  0.25000000  1
  Si  Si11  1  0.50000000  0.91686900  0.75000000  1
