data_InPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   5.81
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   91.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPb
_chemical_formula_sum   'In2 Pb2'
_cell_volume   118.91
_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
  In  In0  1  0.69  0.36  0.95  1.0
  In  In1  1  0.7  0.45  0.89  1.0
  Pb  Pb2  1  0.46  0.36  0.07  1.0
  Pb  Pb3  1  0.93  0.45  0.77  1.0

data_InPb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.5
_cell_length_b   5.81
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   91.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   InPb
_chemical_formula_sum   'In2 Pb2'
_cell_volume   118.91
_cell_formula_units_Z   2
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
  In  In0  2  0.5  0.95  0.53  1.0
  Pb  Pb1  2  0.27  0.95  0.65  1.0

In In Pb Pb
In In Pb Pb 0 1 o o o 0 2 o o + 1 3 o o o 