data_CdRe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   129.84
_cell_angle_beta   129.84
_cell_angle_gamma   73.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRe2Pd
_chemical_formula_sum   'Cd1 Re2 Pd1'
_cell_volume   63.68
_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
  Cd  Cd0  1  0.0  0.04  0.92  1.0
  Re  Re2  1  0.04  0.0  0.92  1.0
  Re  Re3  1  0.0  0.0  0.84  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_CdRe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   4.8
_cell_angle_alpha   115.08
_cell_angle_beta   115.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRe2Pd
_chemical_formula_sum   'Cd1 Re2 Pd1'
_cell_volume   63.68
_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
  Cd  Cd0  1  0.11  0.04  0.11  1.0
  Re  Re1  1  0.08  0.0  0.11  1.0
  Re  Re2  1  0.16  0.0  0.16  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Cd Re Re Pd
Cd Re Re Pd 0 1 o o o 0 2 o o o 0 3 o o + 1 2 o o o 1 3 o o + 