data_Nb2Fe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   4.99
_cell_length_c   7.45
_cell_angle_alpha   61.06
_cell_angle_beta   40.92
_cell_angle_gamma   78.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Fe3
_chemical_formula_sum   'Nb4 Fe6'
_cell_volume   136.53
_cell_formula_units_Z   2
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  Nb6  1  0.8  0.53  0.97  1.0
  Nb  Nb7  1  0.69  0.72  0.97  1.0
  Nb  Nb8  1  0.92  0.79  0.28  1.0
  Nb  Nb9  1  0.81  0.59  0.28  1.0
  Fe  Fe0  1  0.74  0.71  0.36  1.0
  Fe  Fe1  1  0.74  0.55  0.36  1.0
  Fe  Fe2  1  0.86  0.61  0.68  1.0
  Fe  Fe3  1  0.86  0.77  0.68  1.0
  Fe  Fe4  1  0.24  0.13  0.1  1.0
  Fe  Fe5  1  0.12  0.06  0.16  1.0

data_Nb2Fe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   6.67
_cell_angle_alpha   101.98
_cell_angle_beta   101.98
_cell_angle_gamma   116.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Fe3
_chemical_formula_sum   'Nb4 Fe6'
_cell_volume   136.53
_cell_formula_units_Z   2
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  0.53  0.03  0.24  1.0
  Nb  Nb1  1  0.59  0.72  0.91  1.0
  Nb  Nb2  1  0.72  0.03  0.34  1.0
  Nb  Nb3  1  0.79  0.72  0.8  1.0
  Fe  Fe4  1  0.06  0.84  0.72  1.0
  Fe  Fe5  1  0.13  0.9  0.66  1.0
  Fe  Fe6  1  0.55  0.64  0.9  1.0
  Fe  Fe7  1  0.61  0.32  0.46  1.0
  Fe  Fe8  1  0.71  0.64  0.9  1.0
  Fe  Fe9  1  0.77  0.32  0.46  1.0

Nb Nb Nb Nb Fe Fe Fe Fe Fe Fe