data_NbFe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   2.9
_cell_angle_alpha   101.31
_cell_angle_beta   101.31
_cell_angle_gamma   114.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFe2Pb
_chemical_formula_sum   'Nb1 Fe2 Pb1'
_cell_volume   67.25
_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  Nb2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.88  0.79  0.35  1.0
  Fe  Fe1  1  0.88  0.21  0.35  1.0
  Pb  Pb3  1  0.82  0.0  0.0  1.0

data_NbFe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   114.89
_cell_angle_beta   101.31
_cell_angle_gamma   101.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFe2Pb
_chemical_formula_sum   'Nb1 Fe2 Pb1'
_cell_volume   67.25
_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  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.35  0.88  0.21  1.0
  Fe  Fe2  1  0.35  0.88  0.79  1.0
  Pb  Pb3  1  0.0  0.82  0.0  1.0

Nb Fe Fe Pb
Nb Fe Fe Pb 0 3 - o o 0 1 - - o 0 1 - - - 1 3 o + o 2 3 o o o 