data_RbSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.91
_cell_length_b   12.91
_cell_length_c   12.91
_cell_angle_alpha   124.92
_cell_angle_beta   124.92
_cell_angle_gamma   81.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbSn
_chemical_formula_sum   'Rb16 Sn16'
_cell_volume   1392.33
_cell_formula_units_Z   16
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  0.32  0.98  0.56  1.0
  Rb  Rb1  1  0.98  0.32  0.21  1.0
  Rb  Rb2  1  0.98  0.65  0.44  1.0
  Rb  Rb3  1  0.65  0.98  0.33  1.0
  Rb  Rb4  1  0.65  0.95  0.56  1.0
  Rb  Rb5  1  0.98  0.62  0.44  1.0
  Rb  Rb6  1  0.98  0.35  0.21  1.0
  Rb  Rb7  1  0.32  0.02  0.33  1.0
  Rb  Rb8  1  0.51  0.51  0.88  1.0
  Rb  Rb9  1  0.46  0.51  0.0  1.0
  Rb  Rb10  1  0.51  0.46  0.77  1.0
  Rb  Rb11  1  0.46  0.46  0.65  1.0
  Rb  Rb12  1  0.43  0.46  0.0  1.0
  Rb  Rb13  1  0.54  0.46  0.88  1.0
  Rb  Rb14  1  0.46  0.54  0.88  1.0
  Rb  Rb15  1  0.54  0.51  0.77  1.0
  Sn  Sn16  1  0.75  0.64  0.07  1.0
  Sn  Sn17  1  0.3  0.72  0.95  1.0
  Sn  Sn18  1  0.7  0.22  0.95  1.0
  Sn  Sn19  1  0.72  0.3  0.82  1.0
  Sn  Sn20  1  0.22  0.7  0.82  1.0
  Sn  Sn21  1  0.67  0.72  0.93  1.0
  Sn  Sn22  1  0.3  0.25  0.7  1.0
  Sn  Sn23  1  0.22  0.33  0.83  1.0
  Sn  Sn24  1  0.25  0.27  0.82  1.0
  Sn  Sn25  1  0.67  0.22  0.7  1.0
  Sn  Sn26  1  0.3  0.75  0.93  1.0
  Sn  Sn27  1  0.22  0.67  0.07  1.0
  Sn  Sn28  1  0.75  0.3  0.83  1.0
  Sn  Sn29  1  0.27  0.25  0.95  1.0
  Sn  Sn30  1  0.67  0.75  0.95  1.0
  Sn  Sn31  1  0.75  0.67  0.82  1.0

data_RbSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   11.94
_cell_length_b   11.94
_cell_length_c   12.91
_cell_angle_alpha   117.54
_cell_angle_beta   117.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbSn
_chemical_formula_sum   'Rb16 Sn16'
_cell_volume   1392.33
_cell_formula_units_Z   16
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  0.11  0.32  0.1  1.0
  Rb  Rb1  1  0.14  0.35  0.13  1.0
  Rb  Rb2  1  0.17  0.62  0.16  1.0
  Rb  Rb3  1  0.2  0.65  0.19  1.0
  Rb  Rb4  1  0.4  0.95  0.04  1.0
  Rb  Rb5  1  0.43  0.98  0.75  1.0
  Rb  Rb6  1  0.46  0.46  0.89  1.0
  Rb  Rb7  1  0.51  0.51  0.97  1.0
  Rb  Rb8  1  0.58  0.46  0.12  1.0
  Rb  Rb9  1  0.63  0.51  0.14  1.0
  Rb  Rb10  1  0.66  0.54  0.12  1.0
  Rb  Rb11  1  0.66  0.98  0.3  1.0
  Rb  Rb12  1  0.69  0.02  0.01  1.0
  Rb  Rb13  1  0.69  0.46  0.2  1.0
  Rb  Rb14  1  0.74  0.51  0.28  1.0
  Rb  Rb15  1  0.81  0.46  0.27  1.0
  Sn  Sn16  1  0.27  0.22  0.97  1.0
  Sn  Sn17  1  0.3  0.25  0.57  1.0
  Sn  Sn18  1  0.45  0.27  0.7  1.0
  Sn  Sn19  1  0.46  0.3  0.21  1.0
  Sn  Sn20  1  0.48  0.3  0.2  1.0
  Sn  Sn21  1  0.49  0.33  0.71  1.0
  Sn  Sn22  1  0.52  0.22  0.19  1.0
  Sn  Sn23  1  0.55  0.25  0.85  1.0
  Sn  Sn24  1  0.57  0.64  0.33  1.0
  Sn  Sn25  1  0.61  0.67  0.82  1.0
  Sn  Sn26  1  0.77  0.72  0.07  1.0
  Sn  Sn27  1  0.79  0.72  0.46  1.0
  Sn  Sn28  1  0.8  0.75  0.47  1.0
  Sn  Sn29  1  0.82  0.75  0.12  1.0
  Sn  Sn30  1  0.85  0.67  0.61  1.0
  Sn  Sn31  1  0.88  0.7  0.1  1.0

Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn
Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Rb Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn 0 7 o + o 0 22 o + o 1 6 o o o 1 18 o o - 2 5 o o o 3 26 o o - 3 17 o o - 3 25 o + o 3 7 o + o 3 16 o o o 3 30 o o - 3 21 o o - 3 4 o o o 4 25 o + o 4 19 o + o 4 28 o + o 4 7 o + o 6 18 o o - 7 27 o - o 7 22 o o o 7 26 o - - 7 17 o - - 7 25 o o o 8 14 o o o 8 13 o o o 8 16 o o + 9 12 o o o 10 15 o o o 11 15 o o o 13 16 o o + 15 16 o o + 16 30 o o - 16 21 o o - 17 26 o o o 17 27 o o + 18 25 o o o 18 19 o o o 18 28 o o o 19 28 o o o 19 25 o o o 20 26 o o o 21 30 o o o 21 31 o o o 22 24 o o o 22 23 o o o 23 24 o o o 23 29 o o o 24 29 o o o 25 28 o o o 26 27 o o + 30 31 o o o 