data_KMg2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   3.25
_cell_angle_alpha   101.99
_cell_angle_beta   101.99
_cell_angle_gamma   120.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMg2Cd
_chemical_formula_sum   'K1 Mg2 Cd1'
_cell_volume   118.35
_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  0.0  1.0
  Mg  Mg2  1  0.01  0.96  0.48  1.0
  Mg  Mg3  1  0.01  0.04  0.48  1.0
  Cd  Cd0  1  0.38  0.0  0.0  1.0

data_KMg2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   6.16
_cell_length_c   6.82
_cell_angle_alpha   115.79
_cell_angle_beta   101.99
_cell_angle_gamma   93.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMg2Cd
_chemical_formula_sum   'K1 Mg2 Cd1'
_cell_volume   118.35
_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  0.0  0.0  1.0
  Mg  Mg1  1  0.44  0.96  0.97  1.0
  Mg  Mg2  1  0.51  0.04  0.05  1.0
  Cd  Cd3  1  0.0  0.0  0.38  1.0

K Mg Mg Cd