data_In2SnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   144.49
_cell_angle_beta   128.53
_cell_angle_gamma   64.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SnPb
_chemical_formula_sum   'In2 Sn1 Pb1'
_cell_volume   115.03
_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
  In  In0  1  0.0  0.76  0.78  1.0
  In  In1  1  0.94  0.0  0.6  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.38  1.0

data_In2SnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   5.52
_cell_length_c   6.35
_cell_angle_alpha   115.74
_cell_angle_beta   107.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SnPb
_chemical_formula_sum   'In2 Sn1 Pb1'
_cell_volume   115.03
_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
  In  In0  1  0.0  0.6  0.66  1.0
  In  In1  1  0.24  0.03  0.03  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.38  0.38  1.0

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