data_Mg15Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   10.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg15Cd
_chemical_formula_sum   'Mg15 Cd1'
_cell_volume   363.0
_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  0.0  0.0  1.0
  Mg  Mg1  1  1.0  0.52  0.15  1.0
  Mg  Mg2  1  0.19  0.0  0.0  1.0
  Mg  Mg3  1  0.59  0.76  0.15  1.0
  Mg  Mg4  1  0.59  0.76  0.0  1.0
  Mg  Mg5  1  0.41  0.76  0.15  1.0
  Mg  Mg6  1  0.78  0.76  0.0  1.0
  Mg  Mg7  1  0.59  0.92  0.73  1.0
  Mg  Mg8  1  0.59  0.92  0.58  1.0
  Mg  Mg9  1  0.78  0.92  0.73  1.0
  Mg  Mg10  1  0.78  0.92  0.58  1.0
  Mg  Mg11  1  0.19  0.68  0.73  1.0
  Mg  Mg12  1  0.19  0.68  0.58  1.0
  Mg  Mg13  1  1.0  0.68  0.73  1.0
  Mg  Mg14  1  1.0  0.68  0.57  1.0
  Cd  Cd15  1  0.0  0.0  0.15  1.0

data_Mg15Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   10.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg15Cd
_chemical_formula_sum   'Mg15 Cd1'
_cell_volume   363.0
_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  0.0  0.0  1.0
  Mg  Mg1  1  0.19  0.0  0.0  1.0
  Mg  Mg2  1  0.19  0.68  0.58  1.0
  Mg  Mg3  1  0.19  0.68  0.73  1.0
  Mg  Mg4  1  0.41  0.76  0.15  1.0
  Mg  Mg5  1  0.59  0.76  0.15  1.0
  Mg  Mg6  1  0.59  0.92  0.58  1.0
  Mg  Mg7  1  0.59  0.92  0.73  1.0
  Mg  Mg8  1  0.59  0.76  0.0  1.0
  Mg  Mg9  1  0.78  0.76  0.0  1.0
  Mg  Mg10  1  0.78  0.92  0.58  1.0
  Mg  Mg11  1  0.78  0.92  0.73  1.0
  Mg  Mg12  1  1.0  0.52  0.15  1.0
  Mg  Mg13  1  1.0  0.68  0.57  1.0
  Mg  Mg14  1  1.0  0.68  0.73  1.0
  Cd  Cd15  1  0.0  0.0  0.15  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Cd
Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Cd 0 2 o o o 0 15 o o o 1 5 + o o 3 5 o o o 4 6 o o o 7 9 o o o 8 10 o o o 11 13 - o o 12 14 - o o 