data_KLi2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   131.6
_cell_angle_beta   131.6
_cell_angle_gamma   70.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Cd
_chemical_formula_sum   'K1 Li2 Cd1'
_cell_volume   119.03
_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  0.0  0.0  0.9  1.0
  Li  Li2  1  0.0  0.46  0.45  1.0
  Li  Li3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.46  0.0  0.45  1.0

data_KLi2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   6.01
_cell_angle_alpha   114.2
_cell_angle_beta   114.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Cd
_chemical_formula_sum   'K1 Li2 Cd1'
_cell_volume   119.03
_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  0.9  0.9  0.9  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.99  0.45  0.99  1.0
  Cd  Cd3  1  0.45  0.99  0.99  1.0

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