data_Ni2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.71
_cell_angle_alpha   100.33
_cell_angle_beta   100.33
_cell_angle_gamma   38.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2RuPb
_chemical_formula_sum   'Ni2 Ru1 Pb1'
_cell_volume   61.2
_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  0.23  0.0  0.94  1.0
  Ni  Ni1  1  0.53  0.0  0.68  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.88  0.0  0.31  1.0

data_Ni2RuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.59
_cell_length_c   4.71
_cell_angle_alpha   100.33
_cell_angle_beta   90.0
_cell_angle_gamma   109.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2RuPb
_chemical_formula_sum   'Ni2 Ru1 Pb1'
_cell_volume   61.2
_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  0.47  0.32  1.0
  Ni  Ni1  1  0.0  0.77  0.06  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.12  0.69  1.0

Ni Ni Ru Pb
Ni Ni Ru Pb 0 2 o o + 0 1 o o o 1 2 + o + 2 3 - o o 