data_Cd5Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   4.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd5Cu3
_chemical_formula_sum   'Cd5 Cu3'
_cell_volume   141.87
_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  0.7  0.0  0.0  1.0
  Cd  Cd1  1  0.85  0.8  0.0  1.0
  Cd  Cd2  1  0.85  0.2  0.0  1.0
  Cd  Cd3  1  0.76  0.0  0.18  1.0
  Cd  Cd4  1  0.63  0.0  0.18  1.0
  Cu  Cu5  1  0.0  0.0  0.0  1.0
  Cu  Cu6  1  0.7  0.08  0.18  1.0
  Cu  Cu7  1  0.7  0.92  0.18  1.0

data_Cd5Cu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   99.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd5Cu3
_chemical_formula_sum   'Cd5 Cu3'
_cell_volume   141.87
_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  0.85  0.8  1.0
  Cd  Cd1  1  -0.0  0.85  0.2  1.0
  Cd  Cd2  1  0.0  0.7  0.0  1.0
  Cd  Cd3  1  0.18  0.63  0.0  1.0
  Cd  Cd4  1  0.18  0.76  0.0  1.0
  Cu  Cu5  1  0.0  0.0  0.0  1.0
  Cu  Cu6  1  0.18  0.7  0.08  1.0
  Cu  Cu7  1  0.18  0.7  0.92  1.0

Cd Cd Cd Cd Cd Cu Cu Cu