data_ReIrPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.81
_cell_angle_alpha   99.34
_cell_angle_beta   99.34
_cell_angle_gamma   33.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReIrPd2
_chemical_formula_sum   'Re1 Ir1 Pd2'
_cell_volume   59.53
_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  0.15  0.0  0.3  1.0
  Ir  Ir0  1  0.68  0.0  0.27  1.0
  Pd  Pd1  1  0.21  0.0  0.72  1.0
  Pd  Pd2  1  0.65  0.0  0.57  1.0

data_ReIrPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.78
_cell_length_c   4.81
_cell_angle_alpha   99.34
_cell_angle_beta   90.0
_cell_angle_gamma   106.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReIrPd2
_chemical_formula_sum   'Re1 Ir1 Pd2'
_cell_volume   59.53
_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  0.85  0.7  1.0
  Ir  Ir1  1  0.0  0.32  0.73  1.0
  Pd  Pd2  1  0.0  0.35  0.43  1.0
  Pd  Pd3  1  0.0  0.79  0.28  1.0

Re Ir Pd Pd