data_Ni2SbPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33
_cell_length_b   7.33
_cell_length_c   7.33
_cell_angle_alpha   27.63
_cell_angle_beta   27.63
_cell_angle_gamma   27.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2SbPb
_chemical_formula_sum   'Ni2 Sb1 Pb1'
_cell_volume   74.91
_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
  Ni  Ni0  1  0.0  0.0  0.75  1.0
  Ni  Ni1  1  0.0  0.0  0.4  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.57  1.0

data_Ni2SbPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.07
_cell_length_b   3.5
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   106.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2SbPb
_chemical_formula_sum   'Ni4 Sb2 Pb2'
_cell_volume   149.82
_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
  Ni  Ni0  2  -0.0  0.0  0.6  1.0
  Ni  Ni1  2  0.0  0.0  0.25  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.43  1.0

Ni Ni Sb Pb
Ni Ni Sb Pb 0 3 o o o 0 2 o o + 1 3 o o o 