data_Ni2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.5
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2IrPb
_chemical_formula_sum   'Ni2 Ir1 Pb1'
_cell_volume   60.43
_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  Ni1  1  0.51  0.75  0.04  1.0
  Ni  Ni2  1  0.0  0.0  0.25  1.0
  Ir  Ir0  1  0.0  0.0  0.52  1.0
  Pb  Pb3  1  0.51  0.75  0.78  1.0

data_Ni2IrPb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.5
_cell_length_b   3.02
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ni2IrPb
_chemical_formula_sum   'Ni2 Ir1 Pb1'
_cell_volume   60.43
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.25  1.0
  Ni  Ni1  1  0.75  0.5  0.04  1.0
  Ir  Ir2  1  0.0  0.0  0.52  1.0
  Pb  Pb3  1  0.75  0.5  0.78  1.0

Ni Ni Ir Pb
Ni Ni Ir Pb 0 3 o o - 1 2 o o o 