data_KCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   8.84
_cell_angle_alpha   109.98
_cell_angle_beta   109.98
_cell_angle_gamma   29.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCd2
_chemical_formula_sum   'K2 Cd4'
_cell_volume   185.35
_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
  K  K4  1  0.32  0.0  0.13  1.0
  K  K5  1  0.55  0.0  0.14  1.0
  Cd  Cd0  1  0.99  0.0  0.51  1.0
  Cd  Cd1  1  0.43  0.0  0.18  1.0
  Cd  Cd2  1  0.43  0.0  0.09  1.0
  Cd  Cd3  1  0.88  0.0  0.76  1.0

data_KCd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.45
_cell_length_b   6.72
_cell_length_c   8.84
_cell_angle_alpha   109.98
_cell_angle_beta   90.0
_cell_angle_gamma   104.87
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KCd2
_chemical_formula_sum   'K2 Cd4'
_cell_volume   185.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  K  K0  2  0.0  0.38  0.49  1.0
  Cd  Cd1  2  0.0  0.05  0.87  1.0
  Cd  Cd2  2  0.0  0.5  0.46  1.0

K K Cd Cd Cd Cd