data_CaCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   19.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2
_chemical_formula_sum   'Ca8 Cd16'
_cell_volume   618.48
_cell_formula_units_Z   8
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
  Ca  Ca0  1  0.0  0.0  0.62  1.0
  Ca  Ca1  1  0.0  0.0  0.94  1.0
  Ca  Ca2  1  0.0  0.0  0.84  1.0
  Ca  Ca3  1  0.0  0.0  0.72  1.0
  Ca  Ca4  1  0.0  0.49  0.73  1.0
  Ca  Ca5  1  0.02  0.74  0.83  1.0
  Ca  Ca6  1  0.02  0.74  0.51  1.0
  Ca  Ca7  1  0.0  0.49  0.05  1.0
  Cd  Cd8  1  0.0  0.49  0.26  1.0
  Cd  Cd9  1  0.02  0.74  0.3  1.0
  Cd  Cd10  1  0.02  0.74  0.48  1.0
  Cd  Cd11  1  0.0  0.49  0.08  1.0
  Cd  Cd12  1  0.51  0.62  0.78  1.0
  Cd  Cd13  1  0.02  0.0  0.78  1.0
  Cd  Cd14  1  0.49  0.62  0.78  1.0
  Cd  Cd15  1  0.51  0.62  0.0  1.0
  Cd  Cd16  1  0.02  0.0  0.0  1.0
  Cd  Cd17  1  0.49  0.62  0.0  1.0
  Cd  Cd18  1  0.45  0.39  0.67  1.0
  Cd  Cd19  1  0.0  0.7  0.67  1.0
  Cd  Cd20  1  0.55  0.39  0.67  1.0
  Cd  Cd21  1  0.57  0.85  0.89  1.0
  Cd  Cd22  1  0.02  0.54  0.89  1.0
  Cd  Cd23  1  0.47  0.85  0.89  1.0

data_CaCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   19.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2
_chemical_formula_sum   'Ca8 Cd16'
_cell_volume   618.48
_cell_formula_units_Z   8
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
  Ca  Ca0  1  -0.0  0.49  0.05  1.0
  Ca  Ca1  1  -0.0  0.49  0.73  1.0
  Ca  Ca2  1  0.0  0.0  0.62  1.0
  Ca  Ca3  1  0.0  0.0  0.72  1.0
  Ca  Ca4  1  0.0  0.0  0.84  1.0
  Ca  Ca5  1  0.0  0.0  0.94  1.0
  Ca  Ca6  1  0.02  0.74  0.51  1.0
  Ca  Ca7  1  0.02  0.74  0.83  1.0
  Cd  Cd8  1  -0.0  0.49  0.08  1.0
  Cd  Cd9  1  -0.0  0.49  0.26  1.0
  Cd  Cd10  1  -0.0  0.7  0.67  1.0
  Cd  Cd11  1  0.02  0.74  0.3  1.0
  Cd  Cd12  1  0.02  0.74  0.48  1.0
  Cd  Cd13  1  0.02  0.54  0.89  1.0
  Cd  Cd14  1  0.02  0.0  -0.0  1.0
  Cd  Cd15  1  0.02  0.0  0.78  1.0
  Cd  Cd16  1  0.45  0.39  0.67  1.0
  Cd  Cd17  1  0.47  0.85  0.89  1.0
  Cd  Cd18  1  0.49  0.62  -0.0  1.0
  Cd  Cd19  1  0.49  0.62  0.78  1.0
  Cd  Cd20  1  0.51  0.62  -0.0  1.0
  Cd  Cd21  1  0.51  0.62  0.78  1.0
  Cd  Cd22  1  0.55  0.39  0.67  1.0
  Cd  Cd23  1  0.57  0.85  0.89  1.0

Ca Ca Ca Ca Ca Ca Ca Ca Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd