# generated using pymatgen
data_NbFeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69602473
_cell_length_b   9.68397372
_cell_length_c   7.56778138
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeSi2
_chemical_formula_sum   'Nb12 Fe12 Si24'
_cell_volume   637.29857281
_cell_formula_units_Z   12
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  0.24363900  0.82830500  0.45149700  1
  Nb  Nb1  1  0.24363900  0.17169500  0.54850300  1
  Nb  Nb2  1  0.75636100  0.32830500  0.04850300  1
  Nb  Nb3  1  0.75636100  0.67169500  0.95149700  1
  Nb  Nb4  1  0.75636100  0.17169500  0.54850300  1
  Nb  Nb5  1  0.75636100  0.82830500  0.45149700  1
  Nb  Nb6  1  0.24363900  0.67169500  0.95149700  1
  Nb  Nb7  1  0.24363900  0.32830500  0.04850300  1
  Nb  Nb8  1  0.00000000  0.83125900  0.18209300  1
  Nb  Nb9  1  0.00000000  0.16874100  0.81790700  1
  Nb  Nb10  1  0.00000000  0.33125900  0.31790700  1
  Nb  Nb11  1  0.00000000  0.66874100  0.68209300  1
  Fe  Fe12  1  0.24950300  0.59021300  0.24581200  1
  Fe  Fe13  1  0.24950300  0.40978700  0.75418800  1
  Fe  Fe14  1  0.75049700  0.09021300  0.25418800  1
  Fe  Fe15  1  0.75049700  0.90978700  0.74581200  1
  Fe  Fe16  1  0.75049700  0.40978700  0.75418800  1
  Fe  Fe17  1  0.75049700  0.59021300  0.24581200  1
  Fe  Fe18  1  0.24950300  0.90978700  0.74581200  1
  Fe  Fe19  1  0.24950300  0.09021300  0.25418800  1
  Fe  Fe20  1  0.24493400  0.50000000  0.50000000  1
  Fe  Fe21  1  0.75506600  0.00000000  0.00000000  1
  Fe  Fe22  1  0.75506600  0.50000000  0.50000000  1
  Fe  Fe23  1  0.24493400  0.00000000  0.00000000  1
  Si  Si24  1  0.34511700  0.83847500  0.18032000  1
  Si  Si25  1  0.34511700  0.16152500  0.81968000  1
  Si  Si26  1  0.65488300  0.33847500  0.31968000  1
  Si  Si27  1  0.65488300  0.66152500  0.68032000  1
  Si  Si28  1  0.65488300  0.16152500  0.81968000  1
  Si  Si29  1  0.65488300  0.83847500  0.18032000  1
  Si  Si30  1  0.34511700  0.66152500  0.68032000  1
  Si  Si31  1  0.34511700  0.33847500  0.31968000  1
  Si  Si32  1  0.50000000  0.54063800  0.12172900  1
  Si  Si33  1  0.50000000  0.45936200  0.87827100  1
  Si  Si34  1  0.50000000  0.04063800  0.37827100  1
  Si  Si35  1  0.50000000  0.95936200  0.62172900  1
  Si  Si36  1  0.00000000  0.53937700  0.11825500  1
  Si  Si37  1  0.00000000  0.46062300  0.88174500  1
  Si  Si38  1  0.00000000  0.03937700  0.38174500  1
  Si  Si39  1  0.00000000  0.96062300  0.61825500  1
  Si  Si40  1  0.50000000  0.61421000  0.39790600  1
  Si  Si41  1  0.50000000  0.38579000  0.60209400  1
  Si  Si42  1  0.50000000  0.11421000  0.10209400  1
  Si  Si43  1  0.50000000  0.88579000  0.89790600  1
  Si  Si44  1  0.00000000  0.62124000  0.39587900  1
  Si  Si45  1  0.00000000  0.37876000  0.60412100  1
  Si  Si46  1  0.00000000  0.12124000  0.10412100  1
  Si  Si47  1  0.00000000  0.87876000  0.89587900  1
