data_Cd2RePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   127.88
_cell_angle_beta   127.88
_cell_angle_gamma   76.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2RePd
_chemical_formula_sum   'Cd2 Re1 Pd1'
_cell_volume   71.18
_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  0.0  0.84  1.0
  Cd  Cd1  1  0.0  0.15  0.92  1.0
  Re  Re3  1  0.15  0.0  0.92  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_Cd2RePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   4.9
_cell_angle_alpha   116.06
_cell_angle_beta   116.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2RePd
_chemical_formula_sum   'Cd2 Re1 Pd1'
_cell_volume   71.18
_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  0.16  0.0  0.16  1.0
  Cd  Cd1  1  0.23  0.15  0.23  1.0
  Re  Re2  1  0.08  0.0  0.23  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Cd Cd Re Pd