data_KCd2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   7.48
_cell_angle_alpha   100.19
_cell_angle_beta   100.19
_cell_angle_gamma   36.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCd2Co
_chemical_formula_sum   'K1 Cd2 Co1'
_cell_volume   105.61
_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  K3  1  0.89  0.0  0.98  1.0
  Cd  Cd0  1  0.01  0.0  0.75  1.0
  Cd  Cd1  1  0.22  0.0  0.97  1.0
  Co  Co2  1  0.8  0.0  0.67  1.0

data_KCd2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.92
_cell_length_c   7.48
_cell_angle_alpha   100.19
_cell_angle_beta   90.0
_cell_angle_gamma   108.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCd2Co
_chemical_formula_sum   'K1 Cd2 Co1'
_cell_volume   105.61
_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  0.11  0.02  1.0
  Cd  Cd1  1  0.0  0.78  0.03  1.0
  Cd  Cd2  1  0.0  0.99  0.25  1.0
  Co  Co3  1  0.0  0.2  0.33  1.0

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