# generated using pymatgen
data_Nb2Fe7(Re7B3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.99206279
_cell_length_b   7.99206279
_cell_length_c   7.99206304
_cell_angle_alpha   59.95552234
_cell_angle_beta   59.95551978
_cell_angle_gamma   59.95551911
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Fe7(Re7B3)2
_chemical_formula_sum   'Nb2 Fe7 Re14 B6'
_cell_volume   360.59804190
_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  0.24958186  0.24958186  0.24958186  1.0
  Nb  Nb1  1  0.75041814  0.75041814  0.75041814  1.0
  Fe  Fe2  1  0.38252720  0.38252720  0.84380467  1.0
  Fe  Fe3  1  0.38252720  0.84380467  0.38252720  1.0
  Fe  Fe4  1  0.61747280  0.61747280  0.15619533  1.0
  Fe  Fe5  1  0.61747280  0.15619533  0.61747280  1.0
  Fe  Fe6  1  0.84380467  0.38252720  0.38252720  1.0
  Fe  Fe7  1  0.15619533  0.61747280  0.61747280  1.0
  Fe  Fe8  1  0.00000000  0.00000000  0.00000000  1.0
  Re  Re9  1  0.34110872  0.99960844  0.99960844  1.0
  Re  Re10  1  0.65889128  0.00039156  0.00039156  1.0
  Re  Re11  1  0.00000000  0.33878641  0.66121359  1.0
  Re  Re12  1  1.00000000  0.66121359  0.33878641  1.0
  Re  Re13  1  0.99960844  0.34110872  0.99960844  1.0
  Re  Re14  1  0.66121359  1.00000000  0.33878641  1.0
  Re  Re15  1  0.00039156  0.65889128  0.00039156  1.0
  Re  Re16  1  0.33878641  0.00000000  0.66121359  1.0
  Re  Re17  1  0.99960844  0.99960844  0.34110872  1.0
  Re  Re18  1  0.00039156  0.00039156  0.65889128  1.0
  Re  Re19  1  0.66121359  0.33878641  1.00000000  1.0
  Re  Re20  1  0.33878641  0.66121359  0.00000000  1.0
  Re  Re21  1  0.38354878  0.38354878  0.38354878  1.0
  Re  Re22  1  0.61645122  0.61645122  0.61645122  1.0
  B  B23  1  0.72517655  0.27649031  0.27649031  1.0
  B  B24  1  0.27482345  0.72350969  0.72350969  1.0
  B  B25  1  0.27649031  0.72517655  0.27649031  1.0
  B  B26  1  0.72350969  0.27482345  0.72350969  1.0
  B  B27  1  0.27649031  0.27649031  0.72517655  1.0
  B  B28  1  0.72350969  0.72350969  0.27482345  1.0