data_Re2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   7.52
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2Pd
_chemical_formula_sum   'Re4 Pd2'
_cell_volume   88.47
_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
  Re  Re2  1  0.51  0.53  0.0  1.0
  Re  Re3  1  0.82  0.28  0.2  1.0
  Re  Re4  1  0.85  0.23  0.2  1.0
  Re  Re5  1  0.16  0.99  0.0  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.34  0.76  0.2  1.0

data_Re2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.41
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2Pd
_chemical_formula_sum   'Re4 Pd2'
_cell_volume   88.47
_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
  Re  Re0  1  0.15  0.8  0.77  1.0
  Re  Re1  1  0.18  0.8  0.72  1.0
  Re  Re2  1  0.49  0.0  0.47  1.0
  Re  Re3  1  0.84  0.0  0.01  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0
  Pd  Pd5  1  0.66  0.8  0.24  1.0

Re Re Re Re Pd Pd
Re Re Re Re Pd Pd 0 5 o o o 0 2 o o o 0 1 o o o 1 2 o o o 3 4 o + o 3 5 o o o 4 5 o - o 