data_K2NbCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   8.52
_cell_angle_alpha   93.11
_cell_angle_beta   93.11
_cell_angle_gamma   33.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NbCd
_chemical_formula_sum   'K2 Nb1 Cd1'
_cell_volume   130.55
_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  K1  1  0.07  0.0  0.43  1.0
  K  K2  1  0.19  0.0  0.96  1.0
  Nb  Nb3  1  0.77  0.0  0.68  1.0
  Cd  Cd0  1  0.5  0.0  0.69  1.0

data_K2NbCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   5.3
_cell_length_c   8.52
_cell_angle_alpha   93.11
_cell_angle_beta   90.0
_cell_angle_gamma   106.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NbCd
_chemical_formula_sum   'K2 Nb1 Cd1'
_cell_volume   130.55
_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  0.81  0.04  1.0
  K  K1  1  0.0  0.93  0.57  1.0
  Nb  Nb2  1  0.0  0.23  0.32  1.0
  Cd  Cd3  1  0.0  0.5  0.31  1.0

K K Nb Cd
K K Nb Cd 0 0 + - o 0 2 - o o 0 3 o o o 1 2 - o o 1 1 + - o 1 3 o o o 2 3 o o o 