data_RbMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.59
_cell_length_b   12.68
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg
_chemical_formula_sum   'Rb12 Mg12'
_cell_volume   1224.48
_cell_formula_units_Z   12
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
  Rb  Rb12  1  0.25  0.52  0.76  1.0
  Rb  Rb13  1  0.33  0.16  0.92  1.0
  Rb  Rb14  1  0.33  0.18  0.76  1.0
  Rb  Rb15  1  0.25  0.5  0.92  1.0
  Rb  Rb16  1  0.6  0.9  0.76  1.0
  Rb  Rb17  1  0.99  0.78  0.92  1.0
  Rb  Rb18  1  0.99  0.24  0.76  1.0
  Rb  Rb19  1  0.6  0.44  0.92  1.0
  Rb  Rb20  1  0.05  0.17  0.0  1.0
  Rb  Rb21  1  0.53  0.51  0.84  1.0
  Rb  Rb22  1  0.53  0.51  0.0  1.0
  Rb  Rb23  1  0.05  0.17  0.84  1.0
  Mg  Mg0  1  0.16  0.4  0.76  1.0
  Mg  Mg1  1  0.43  0.28  0.92  1.0
  Mg  Mg2  1  0.43  0.06  0.76  1.0
  Mg  Mg3  1  0.16  0.62  0.92  1.0
  Mg  Mg4  1  0.61  0.2  0.76  1.0
  Mg  Mg5  1  0.97  0.47  0.92  1.0
  Mg  Mg6  1  0.97  0.54  0.76  1.0
  Mg  Mg7  1  0.61  0.14  0.92  1.0
  Mg  Mg8  1  0.25  0.17  0.0  1.0
  Mg  Mg9  1  0.34  0.51  0.84  1.0
  Mg  Mg10  1  0.34  0.51  0.0  1.0
  Mg  Mg11  1  0.25  0.17  0.84  1.0

data_RbMg
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.67
_cell_length_b   12.59
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg
_chemical_formula_sum   'Rb12 Mg12'
_cell_volume   1224.48
_cell_formula_units_Z   12
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
  Rb  Rb0  1  0.0  0.53  0.51  1.0
  Rb  Rb1  1  0.0  0.05  0.17  1.0
  Rb  Rb2  1  0.76  0.25  0.52  1.0
  Rb  Rb3  1  0.76  0.33  0.18  1.0
  Rb  Rb4  1  0.76  0.6  0.9  1.0
  Rb  Rb5  1  0.76  0.99  0.24  1.0
  Rb  Rb6  1  0.84  0.05  0.17  1.0
  Rb  Rb7  1  0.84  0.53  0.51  1.0
  Rb  Rb8  1  0.92  0.25  0.5  1.0
  Rb  Rb9  1  0.92  0.33  0.16  1.0
  Rb  Rb10  1  0.92  0.6  0.44  1.0
  Rb  Rb11  1  0.92  0.99  0.78  1.0
  Mg  Mg12  1  0.0  0.34  0.51  1.0
  Mg  Mg13  1  0.0  0.25  0.17  1.0
  Mg  Mg14  1  0.76  0.16  0.4  1.0
  Mg  Mg15  1  0.76  0.43  0.06  1.0
  Mg  Mg16  1  0.76  0.61  0.2  1.0
  Mg  Mg17  1  0.76  0.97  0.54  1.0
  Mg  Mg18  1  0.84  0.25  0.17  1.0
  Mg  Mg19  1  0.84  0.34  0.51  1.0
  Mg  Mg20  1  0.92  0.16  0.62  1.0
  Mg  Mg21  1  0.92  0.43  0.28  1.0
  Mg  Mg22  1  0.92  0.61  0.14  1.0
  Mg  Mg23  1  0.92  0.97  0.47  1.0

Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg
Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg 0 21 o o o 0 3 o o o 0 12 o o o 0 15 o o o 1 23 o o o 1 20 o o + 1 2 o o o 1 13 o o o 1 14 o o o 2 23 o o o 2 13 o o o 2 14 o o o 3 21 o o o 3 22 o o + 3 12 o o o 3 15 o o o 4 14 o + o 4 19 o + o 5 18 o o o 5 15 + o o 6 11 + o o 7 9 o o o 7 10 o o + 8 11 o o - 9 10 o o + 16 19 o o o 17 18 o o o 20 23 o o - 21 22 o o + 