data_CaCdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   9.66
_cell_angle_alpha   100.16
_cell_angle_beta   100.16
_cell_angle_gamma   59.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdCl2
_chemical_formula_sum   'Ca1 Cd1 Cl2'
_cell_volume   137.0
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.58  0.0  0.73  1.0
  Cl  Cl2  1  0.76  0.0  0.41  1.0
  Cl  Cl3  1  0.4  0.0  0.05  1.0

data_CaCdCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.1
_cell_length_c   9.66
_cell_angle_alpha   100.16
_cell_angle_beta   90.0
_cell_angle_gamma   119.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCdCl2
_chemical_formula_sum   'Ca1 Cd1 Cl2'
_cell_volume   137.0
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.42  0.27  1.0
  Cl  Cl2  1  0.0  0.24  0.59  1.0
  Cl  Cl3  1  0.0  0.6  0.95  1.0

Ca Cd Cl Cl