data_Ni2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89
_cell_length_b   7.89
_cell_length_c   7.89
_cell_angle_alpha   153.13
_cell_angle_beta   153.13
_cell_angle_gamma   38.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2Pb
_chemical_formula_sum   'Ni4 Pb2'
_cell_volume   100.35
_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
  Ni  Ni0  1  0.0  0.0  0.28  1.0
  Ni  Ni1  1  0.83  0.0  0.91  1.0
  Ni  Ni2  1  0.0  0.0  0.63  1.0
  Ni  Ni3  1  0.83  0.0  0.55  1.0
  Pb  Pb4  1  0.0  0.0  0.0  1.0
  Pb  Pb5  1  0.0  0.83  0.73  1.0

data_Ni2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   7.89
_cell_angle_alpha   103.44
_cell_angle_beta   103.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2Pb
_chemical_formula_sum   'Ni4 Pb2'
_cell_volume   100.35
_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
  Ni  Ni0  1  0.28  0.28  0.28  1.0
  Ni  Ni1  1  0.55  0.72  0.72  1.0
  Ni  Ni2  1  0.63  0.63  0.63  1.0
  Ni  Ni3  1  0.91  0.07  0.07  1.0
  Pb  Pb4  1  0.0  0.0  0.0  1.0
  Pb  Pb5  1  0.89  0.73  0.89  1.0

Ni Ni Ni Ni Pb Pb
Ni Ni Ni Ni Pb Pb 0 1 - o - 0 4 o o o 1 4 + o + 2 3 - o o 4 5 o - - 