# generated using pymatgen
data_Nb4Fe4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.59121504
_cell_length_b   12.59121504
_cell_length_c   5.00405170
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4Fe4Si7
_chemical_formula_sum   'Nb16 Fe16 Si28'
_cell_volume   793.33583215
_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  0.13512300  0.13512300  0.00000000  1
  Nb  Nb1  1  0.36487700  0.36487700  0.50000000  1
  Nb  Nb2  1  0.63512300  0.36487700  0.50000000  1
  Nb  Nb3  1  0.86487700  0.13512300  0.00000000  1
  Nb  Nb4  1  0.69220200  0.50000000  0.00000000  1
  Nb  Nb5  1  0.30779800  0.50000000  0.00000000  1
  Nb  Nb6  1  0.00000000  0.80779800  0.50000000  1
  Nb  Nb7  1  0.00000000  0.19220200  0.50000000  1
  Nb  Nb8  1  0.63512300  0.63512300  0.50000000  1
  Nb  Nb9  1  0.86487700  0.86487700  0.00000000  1
  Nb  Nb10  1  0.13512300  0.86487700  0.00000000  1
  Nb  Nb11  1  0.36487700  0.63512300  0.50000000  1
  Nb  Nb12  1  0.19220200  0.00000000  0.50000000  1
  Nb  Nb13  1  0.80779800  0.00000000  0.50000000  1
  Nb  Nb14  1  0.50000000  0.30779800  0.00000000  1
  Nb  Nb15  1  0.50000000  0.69220200  0.00000000  1
  Fe  Fe16  1  0.14947900  0.64947900  0.75000000  1
  Fe  Fe17  1  0.85052100  0.35052100  0.75000000  1
  Fe  Fe18  1  0.14947900  0.35052100  0.75000000  1
  Fe  Fe19  1  0.85052100  0.64947900  0.75000000  1
  Fe  Fe20  1  0.14947900  0.35052100  0.25000000  1
  Fe  Fe21  1  0.85052100  0.64947900  0.25000000  1
  Fe  Fe22  1  0.14947900  0.64947900  0.25000000  1
  Fe  Fe23  1  0.85052100  0.35052100  0.25000000  1
  Fe  Fe24  1  0.64947900  0.14947900  0.25000000  1
  Fe  Fe25  1  0.35052100  0.85052100  0.25000000  1
  Fe  Fe26  1  0.64947900  0.85052100  0.25000000  1
  Fe  Fe27  1  0.35052100  0.14947900  0.25000000  1
  Fe  Fe28  1  0.64947900  0.85052100  0.75000000  1
  Fe  Fe29  1  0.35052100  0.14947900  0.75000000  1
  Fe  Fe30  1  0.64947900  0.14947900  0.75000000  1
  Fe  Fe31  1  0.35052100  0.85052100  0.75000000  1
  Si  Si32  1  0.29084900  0.29084900  0.00000000  1
  Si  Si33  1  0.20915100  0.20915100  0.50000000  1
  Si  Si34  1  0.79084900  0.20915100  0.50000000  1
  Si  Si35  1  0.70915100  0.29084900  0.00000000  1
  Si  Si36  1  0.79708600  0.50000000  0.50000000  1
  Si  Si37  1  0.20291400  0.50000000  0.50000000  1
  Si  Si38  1  0.00000000  0.70291400  0.00000000  1
  Si  Si39  1  0.00000000  0.29708600  0.00000000  1
  Si  Si40  1  0.90572000  0.50000000  0.00000000  1
  Si  Si41  1  0.09428000  0.50000000  0.00000000  1
  Si  Si42  1  0.00000000  0.59428000  0.50000000  1
  Si  Si43  1  0.00000000  0.40572000  0.50000000  1
  Si  Si44  1  0.00000000  0.00000000  0.75064100  1
  Si  Si45  1  0.00000000  0.00000000  0.24935900  1
  Si  Si46  1  0.79084900  0.79084900  0.50000000  1
  Si  Si47  1  0.70915100  0.70915100  0.00000000  1
  Si  Si48  1  0.29084900  0.70915100  0.00000000  1
  Si  Si49  1  0.20915100  0.79084900  0.50000000  1
  Si  Si50  1  0.29708600  0.00000000  0.00000000  1
  Si  Si51  1  0.70291400  0.00000000  0.00000000  1
  Si  Si52  1  0.50000000  0.20291400  0.50000000  1
  Si  Si53  1  0.50000000  0.79708600  0.50000000  1
  Si  Si54  1  0.40572000  0.00000000  0.50000000  1
  Si  Si55  1  0.59428000  0.00000000  0.50000000  1
  Si  Si56  1  0.50000000  0.09428000  0.00000000  1
  Si  Si57  1  0.50000000  0.90572000  0.00000000  1
  Si  Si58  1  0.50000000  0.50000000  0.25064100  1
  Si  Si59  1  0.50000000  0.50000000  0.74935900  1
