# generated using pymatgen
data_Nb6Fe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88438569
_cell_length_b   4.88438600
_cell_length_c   9.20306590
_cell_angle_alpha   74.61121942
_cell_angle_beta   74.61121789
_cell_angle_gamma   59.99999790
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6Fe7
_chemical_formula_sum   'Nb6 Fe7'
_cell_volume   180.99759384
_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  0.83297100  0.83297100  0.50108700  1.0
  Nb  Nb1  1  0.16702900  0.16702900  0.49891300  1.0
  Nb  Nb2  1  0.65381600  0.65381600  0.03855300  1.0
  Nb  Nb3  1  0.34618400  0.34618400  0.96144700  1.0
  Nb  Nb4  1  0.55035700  0.55035700  0.34892800  1.0
  Nb  Nb5  1  0.44964300  0.44964300  0.65107200  1.0
  Fe  Fe6  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe7  1  0.90957200  0.40484100  0.77601600  1.0
  Fe  Fe8  1  0.40484100  0.90957200  0.77601600  1.0
  Fe  Fe9  1  0.90957200  0.90957200  0.77601600  1.0
  Fe  Fe10  1  0.09042800  0.59515900  0.22398400  1.0
  Fe  Fe11  1  0.59515900  0.09042800  0.22398400  1.0
  Fe  Fe12  1  0.09042800  0.09042800  0.22398400  1.0