data_CsCd13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.87
_cell_length_b   9.87
_cell_length_c   9.87
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsCd13
_chemical_formula_sum   'Cs2 Cd26'
_cell_volume   680.36
_cell_formula_units_Z   2
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
  Cs  Cs26  1  0.49  0.49  0.49  1.0
  Cs  Cs27  1  0.47  0.47  0.47  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.98  0.51  0.29  1.0
  Cd  Cd2  1  0.45  0.29  0.98  1.0
  Cd  Cd3  1  0.67  0.98  0.51  1.0
  Cd  Cd4  1  0.5  0.98  0.29  1.0
  Cd  Cd5  1  0.98  0.29  0.47  1.0
  Cd  Cd6  1  0.67  0.47  0.98  1.0
  Cd  Cd7  1  0.29  0.98  0.51  1.0
  Cd  Cd8  1  0.98  0.51  0.67  1.0
  Cd  Cd9  1  0.45  0.67  0.98  1.0
  Cd  Cd10  1  0.98  0.67  0.47  1.0
  Cd  Cd11  1  0.29  0.47  0.98  1.0
  Cd  Cd12  1  0.5  0.98  0.67  1.0
  Cd  Cd13  1  0.98  0.98  0.98  1.0
  Cd  Cd14  1  0.47  0.98  0.29  1.0
  Cd  Cd15  1  0.98  0.29  0.5  1.0
  Cd  Cd16  1  0.67  0.5  0.98  1.0
  Cd  Cd17  1  0.98  0.45  0.29  1.0
  Cd  Cd18  1  0.51  0.29  0.98  1.0
  Cd  Cd19  1  0.67  0.98  0.45  1.0
  Cd  Cd20  1  0.98  0.67  0.5  1.0
  Cd  Cd21  1  0.29  0.5  0.98  1.0
  Cd  Cd22  1  0.47  0.98  0.67  1.0
  Cd  Cd23  1  0.98  0.45  0.67  1.0
  Cd  Cd24  1  0.29  0.98  0.45  1.0
  Cd  Cd25  1  0.51  0.67  0.98  1.0

data_CsCd13
_symmetry_space_group_name_H-M   R3
_cell_length_a   9.87
_cell_length_b   9.87
_cell_length_c   24.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   CsCd13
_chemical_formula_sum   'Cs6 Cd78'
_cell_volume   2041.08
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Cs  Cs0  3  0.0  0.0  0.51  1.0
  Cs  Cs1  3  0.0  0.0  0.53  1.0
  Cd  Cd2  9  0.03  0.28  0.3  1.0
  Cd  Cd3  9  0.04  0.76  0.29  1.0
  Cd  Cd4  9  0.04  0.78  0.28  1.0
  Cd  Cd5  9  0.05  0.26  0.28  1.0
  Cd  Cd6  9  0.08  0.7  0.4  1.0
  Cd  Cd7  9  0.09  0.39  0.41  1.0
  Cd  Cd8  9  0.11  0.4  0.42  1.0
  Cd  Cd9  9  0.13  0.72  0.43  1.0
  Cd  Cd10  3  0.0  0.0  -0.0  1.0
  Cd  Cd11  3  0.0  0.0  0.02  1.0

Cs Cs Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd
Cs Cs Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd 0 1 o o o 2 15 - - - 3 19 o o o 4 20 o o o 5 21 o o o 6 16 o o o 7 17 o o o 8 18 o o o 9 26 o o o 10 25 o o o 11 27 o o o 12 22 o o o 13 23 o o o 14 24 o o o 