data_Mg14ZnCdO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   8.61
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14ZnCdO16
_chemical_formula_sum   'Mg14 Zn1 Cd1 O16'
_cell_volume   320.59
_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
  Mg  Mg0  1  0.16  0.0  0.0  1.0
  Mg  Mg1  1  0.16  0.3  0.0  1.0
  Mg  Mg2  1  0.0  0.5  0.31  1.0
  Mg  Mg3  1  0.0  0.11  0.31  1.0
  Mg  Mg4  1  0.0  0.46  0.0  1.0
  Mg  Mg5  1  0.0  0.15  0.0  1.0
  Mg  Mg6  1  0.0  0.0  0.16  1.0
  Mg  Mg7  1  0.0  0.3  0.12  1.0
  Mg  Mg8  1  0.0  0.0  0.47  1.0
  Mg  Mg9  1  0.0  0.3  0.5  1.0
  Mg  Mg10  1  0.16  0.47  0.14  1.0
  Mg  Mg11  1  0.16  0.13  0.14  1.0
  Mg  Mg12  1  0.16  0.47  0.48  1.0
  Mg  Mg13  1  0.16  0.13  0.48  1.0
  Zn  Zn14  1  0.16  0.0  0.31  1.0
  Cd  Cd15  1  0.16  0.3  0.31  1.0
  O  O16  1  0.16  0.0  0.1  1.0
  O  O17  1  0.16  0.3  0.02  1.0
  O  O18  1  0.16  0.0  0.52  1.0
  O  O19  1  0.16  0.3  0.6  1.0
  O  O20  1  0.0  0.45  0.17  1.0
  O  O21  1  0.0  0.16  0.17  1.0
  O  O22  1  0.0  0.45  0.46  1.0
  O  O23  1  0.0  0.16  0.46  1.0
  O  O24  1  0.0  0.0  0.31  1.0
  O  O25  1  0.0  0.3  0.31  1.0
  O  O26  1  0.0  0.0  0.0  1.0
  O  O27  1  0.0  0.3  0.0  1.0
  O  O28  1  0.16  0.57  0.31  1.0
  O  O29  1  0.16  0.04  0.31  1.0
  O  O30  1  0.16  0.47  0.0  1.0
  O  O31  1  0.16  0.14  0.0  1.0

data_Mg14ZnCdO16
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   8.61
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14ZnCdO16
_chemical_formula_sum   'Mg14 Zn1 Cd1 O16'
_cell_volume   320.59
_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
  Mg  Mg0  1  -0.0  0.5  0.31  1.0
  Mg  Mg1  1  -0.0  0.46  0.0  1.0
  Mg  Mg2  1  -0.0  0.3  0.12  1.0
  Mg  Mg3  1  -0.0  0.3  0.5  1.0
  Mg  Mg4  1  -0.0  0.15  0.0  1.0
  Mg  Mg5  1  -0.0  0.11  0.31  1.0
  Mg  Mg6  1  0.0  0.0  0.16  1.0
  Mg  Mg7  1  0.0  0.0  0.47  1.0
  Mg  Mg8  1  0.16  0.0  0.0  1.0
  Mg  Mg9  1  0.16  0.13  0.14  1.0
  Mg  Mg10  1  0.16  0.13  0.48  1.0
  Mg  Mg11  1  0.16  0.3  0.0  1.0
  Mg  Mg12  1  0.16  0.47  0.14  1.0
  Mg  Mg13  1  0.16  0.47  0.48  1.0
  Zn  Zn14  1  0.16  0.0  0.31  1.0
  Cd  Cd15  1  0.16  0.3  0.31  1.0
  O  O16  1  -0.0  0.45  0.17  1.0
  O  O17  1  -0.0  0.45  0.46  1.0
  O  O18  1  -0.0  0.3  0.0  1.0
  O  O19  1  -0.0  0.3  0.31  1.0
  O  O20  1  -0.0  0.16  0.17  1.0
  O  O21  1  -0.0  0.16  0.46  1.0
  O  O22  1  0.0  0.0  0.0  1.0
  O  O23  1  0.0  0.0  0.31  1.0
  O  O24  1  0.16  0.0  0.1  1.0
  O  O25  1  0.16  0.0  0.52  1.0
  O  O26  1  0.16  0.04  0.31  1.0
  O  O27  1  0.16  0.14  0.0  1.0
  O  O28  1  0.16  0.3  0.02  1.0
  O  O29  1  0.16  0.3  0.6  1.0
  O  O30  1  0.16  0.47  0.0  1.0
  O  O31  1  0.16  0.57  0.31  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Zn Cd O O O O O O O O O O O O O O O O