data_RePd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.87
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   94.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePd2Cl
_chemical_formula_sum   'Re1 Pd2 Cl1'
_cell_volume   66.46
_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  0.47  0.44  0.96  1.0
  Pd  Pd1  1  0.46  0.44  0.23  1.0
  Pd  Pd2  1  0.89  0.0  0.18  1.0
  Cl  Cl0  1  0.48  0.0  0.84  1.0

data_RePd2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   2.87
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   94.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePd2Cl
_chemical_formula_sum   'Re1 Pd2 Cl1'
_cell_volume   66.46
_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  0.47  0.44  0.96  1.0
  Pd  Pd1  1  0.46  0.44  0.23  1.0
  Pd  Pd2  1  0.89  0.0  0.18  1.0
  Cl  Cl3  1  0.48  0.0  0.84  1.0

Re Pd Pd Cl
Re Pd Pd Cl 0 3 o o o 0 3 o + o 0 1 o o + 1 2 - o o 1 2 - + o 1 2 o o o 1 2 o + o 