data_ReBPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   4.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBPd2
_chemical_formula_sum   'Re1 B1 Pd2'
_cell_volume   53.4
_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  0.76  0.76  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.76  0.15  1.0
  Pd  Pd2  1  0.76  0.0  0.15  1.0

data_ReBPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReBPd2
_chemical_formula_sum   'Re2 B2 Pd4'
_cell_volume   106.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.26  0.5  -0.0  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  4  0.38  0.38  0.15  1.0

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