data_Cd4Cu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   95.61
_cell_angle_beta   95.61
_cell_angle_gamma   143.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd4Cu5
_chemical_formula_sum   'Cd4 Cu5'
_cell_volume   143.68
_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  0.67  0.0  1.0
  Cd  Cd1  1  0.0  0.84  0.0  1.0
  Cd  Cd2  1  0.67  0.0  0.0  1.0
  Cd  Cd3  1  0.84  0.0  0.0  1.0
  Cu  Cu4  1  0.0  0.0  0.0  1.0
  Cu  Cu5  1  0.94  0.94  0.0  1.0
  Cu  Cu6  1  0.69  0.31  0.98  1.0
  Cu  Cu7  1  0.31  0.69  0.98  1.0
  Cu  Cu8  1  0.31  0.31  0.98  1.0

data_Cd4Cu5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.96
_cell_length_b   12.04
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   108.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd4Cu5
_chemical_formula_sum   'Cd8 Cu10'
_cell_volume   287.36
_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
  Cd  Cd0  4  0.08  0.08  0.0  1.0
  Cd  Cd1  4  0.16  0.16  0.0  1.0
  Cu  Cu2  4  -0.0  0.31  0.02  1.0
  Cu  Cu3  2  0.0  0.0  0.0  1.0
  Cu  Cu4  2  0.06  0.0  0.0  1.0
  Cu  Cu5  2  0.19  0.5  0.02  1.0

Cd Cd Cd Cd Cu Cu Cu Cu Cu