data_InRuPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   4.51
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   105.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InRuPb2
_chemical_formula_sum   'In1 Ru1 Pb2'
_cell_volume   97.41
_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  0.21  0.0  0.92  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  1.0  0.26  0.51  1.0
  Pb  Pb2  1  0.11  0.26  0.33  1.0

data_InRuPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   4.51
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   105.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InRuPb2
_chemical_formula_sum   'In1 Ru1 Pb2'
_cell_volume   97.41
_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  0.21  0.0  0.92  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.11  0.26  0.33  1.0
  Pb  Pb3  1  1.0  0.26  0.51  1.0

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