data_NbFe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19
_cell_length_b   8.19
_cell_length_c   8.19
_cell_angle_alpha   21.82
_cell_angle_beta   21.82
_cell_angle_gamma   21.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFe2Pb
_chemical_formula_sum   'Nb1 Fe2 Pb1'
_cell_volume   66.58
_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  0.0  0.0  0.76  1.0
  Fe  Fe1  1  0.0  0.0  0.22  1.0
  Pb  Pb3  1  0.0  0.0  0.99  1.0

data_NbFe2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.37
_cell_length_b   3.1
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   102.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbFe2Pb
_chemical_formula_sum   'Nb2 Fe4 Pb2'
_cell_volume   133.17
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Fe  Fe1  2  0.0  0.0  0.78  1.0
  Fe  Fe2  2  0.0  0.0  0.24  1.0
  Pb  Pb3  2  0.0  0.0  0.01  1.0

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