data_RePdPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   4.53
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePdPt2
_chemical_formula_sum   'Re1 Pd1 Pt2'
_cell_volume   61.11
_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
  Re  Re3  1  0.0  0.27  0.62  1.0
  Pd  Pd0  1  0.0  0.0  0.08  1.0
  Pt  Pt1  1  0.38  0.27  0.17  1.0
  Pt  Pt2  1  0.38  0.0  0.48  1.0

data_RePdPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.53
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePdPt2
_chemical_formula_sum   'Re1 Pd1 Pt2'
_cell_volume   61.11
_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
  Re  Re0  1  -0.0  0.27  0.62  1.0
  Pd  Pd1  1  0.0  0.0  0.08  1.0
  Pt  Pt2  1  0.38  0.0  0.48  1.0
  Pt  Pt3  1  0.38  0.27  0.17  1.0

Re Pd Pt Pt
Re Pd Pt Pt 0 3 o o o 1 2 o o o 2 3 o o o 