data_K2CrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   5.43
_cell_angle_alpha   110.9
_cell_angle_beta   110.9
_cell_angle_gamma   36.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrCd
_chemical_formula_sum   'K2 Cr1 Cd1'
_cell_volume   127.1
_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
  K  K2  1  0.53  0.0  0.74  1.0
  K  K3  1  0.89  0.0  0.29  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.21  0.0  0.51  1.0

data_K2CrCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   5.43
_cell_length_c   6.55
_cell_angle_alpha   110.9
_cell_angle_beta   108.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrCd
_chemical_formula_sum   'K2 Cr1 Cd1'
_cell_volume   127.1
_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
  K  K0  1  0.0  0.29  0.89  1.0
  K  K1  1  0.0  0.74  0.53  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cd  Cd3  1  0.0  0.51  0.21  1.0

K K Cr Cd
K K Cr Cd 0 3 o o o 1 2 + o o 1 3 + o o 