data_KMgCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   3.36
_cell_angle_alpha   100.03
_cell_angle_beta   100.03
_cell_angle_gamma   115.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgCd2
_chemical_formula_sum   'K1 Mg1 Cd2'
_cell_volume   118.33
_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  0.44  0.0  0.0  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.18  0.71  0.59  1.0
  Cd  Cd1  1  0.18  0.29  0.59  1.0

data_KMgCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   6.41
_cell_length_c   6.41
_cell_angle_alpha   115.06
_cell_angle_beta   100.03
_cell_angle_gamma   100.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgCd2
_chemical_formula_sum   'K1 Mg1 Cd2'
_cell_volume   118.33
_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  0.44  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.59  0.18  0.71  1.0
  Cd  Cd3  1  0.59  0.18  0.29  1.0

K Mg Cd Cd
K Mg Cd Cd 0 2 o - - 1 3 o o - 1 3 o o o 2 3 o o o 