data_In2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   36.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2RuPb
_chemical_formula_sum   'In2 Ru1 Pb1'
_cell_volume   89.34
_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  0.27  0.0  0.94  1.0
  In  In1  1  0.0  0.0  0.45  1.0
  Ru  Ru3  1  0.0  0.0  0.41  1.0
  Pb  Pb2  1  0.27  0.0  0.01  1.0

data_In2RuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.55
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   108.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2RuPb
_chemical_formula_sum   'In2 Ru1 Pb1'
_cell_volume   89.34
_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  0.06  0.27  0.06  1.0
  In  In1  1  0.55  0.0  0.55  1.0
  Ru  Ru2  1  0.59  0.0  0.59  1.0
  Pb  Pb3  1  0.99  0.27  0.99  1.0

In In Ru Pb