data_Cr5Cd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   6.76
_cell_angle_alpha   94.72
_cell_angle_beta   94.72
_cell_angle_gamma   146.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Cd4
_chemical_formula_sum   'Cr5 Cd4'
_cell_volume   162.73
_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
  Cr  Cr4  1  0.0  0.0  0.0  1.0
  Cr  Cr5  1  0.15  0.15  0.0  1.0
  Cr  Cr6  1  0.57  0.43  0.94  1.0
  Cr  Cr7  1  0.43  0.57  0.94  1.0
  Cr  Cr8  1  0.43  0.43  0.94  1.0
  Cd  Cd0  1  0.0  0.96  0.0  1.0
  Cd  Cd1  1  0.0  0.2  0.0  1.0
  Cd  Cd2  1  0.96  0.0  0.0  1.0
  Cd  Cd3  1  0.2  0.0  0.0  1.0

data_Cr5Cd4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.88
_cell_length_b   12.95
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   106.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr5Cd4
_chemical_formula_sum   'Cr10 Cd8'
_cell_volume   325.46
_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
  Cr  Cr0  4  0.0  0.43  0.06  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Cr  Cr2  2  0.07  0.5  0.06  1.0
  Cr  Cr3  2  0.35  0.5  0.0  1.0
  Cd  Cd4  4  0.02  0.02  -0.0  1.0
  Cd  Cd5  4  0.4  0.4  -0.0  1.0

Cr Cr Cr Cr Cr Cd Cd Cd Cd
Cr Cr Cr Cr Cr Cd Cd Cd Cd 0 7 - o o 0 5 o - o 0 1 o o o 0 6 o o o 0 8 o o o 1 7 - o o 1 5 o - o 1 6 o o o 1 8 o o o 2 4 o o o 3 4 o o o 5 8 o + o 6 7 - o o 