data_RbMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.81
_cell_length_b   11.81
_cell_length_c   11.81
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg2
_chemical_formula_sum   'Rb8 Mg16'
_cell_volume   1164.58
_cell_formula_units_Z   8
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  Rb16  1  0.92  0.92  0.92  1.0
  Rb  Rb17  1  0.13  0.13  0.92  1.0
  Rb  Rb18  1  0.13  0.92  0.13  1.0
  Rb  Rb19  1  0.92  0.13  0.13  1.0
  Rb  Rb20  1  0.96  0.96  0.96  1.0
  Rb  Rb21  1  0.74  0.74  0.96  1.0
  Rb  Rb22  1  0.74  0.96  0.74  1.0
  Rb  Rb23  1  0.96  0.74  0.74  1.0
  Mg  Mg0  1  0.09  0.26  0.26  1.0
  Mg  Mg1  1  0.26  0.09  0.26  1.0
  Mg  Mg2  1  0.26  0.26  0.09  1.0
  Mg  Mg3  1  0.09  0.09  0.09  1.0
  Mg  Mg4  1  0.35  0.35  0.28  1.0
  Mg  Mg5  1  0.35  0.28  0.35  1.0
  Mg  Mg6  1  0.28  0.35  0.35  1.0
  Mg  Mg7  1  0.42  0.35  0.35  1.0
  Mg  Mg8  1  0.35  0.42  0.35  1.0
  Mg  Mg9  1  0.35  0.35  0.42  1.0
  Mg  Mg10  1  0.53  0.53  0.59  1.0
  Mg  Mg11  1  0.53  0.59  0.53  1.0
  Mg  Mg12  1  0.59  0.53  0.53  1.0
  Mg  Mg13  1  0.46  0.53  0.53  1.0
  Mg  Mg14  1  0.53  0.46  0.53  1.0
  Mg  Mg15  1  0.53  0.53  0.46  1.0

data_RbMg2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   11.81
_cell_length_b   11.81
_cell_length_c   28.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   RbMg2
_chemical_formula_sum   'Rb24 Mg48'
_cell_volume   3493.74
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.07  0.93  0.19  1.0
  Rb  Rb1  9  0.14  0.07  0.94  1.0
  Rb  Rb2  3  0.0  0.0  0.04  1.0
  Rb  Rb3  3  0.0  0.0  0.08  1.0
  Mg  Mg4  9  0.02  0.04  0.45  1.0
  Mg  Mg5  9  0.02  0.04  0.63  1.0
  Mg  Mg6  9  0.04  0.02  0.5  1.0
  Mg  Mg7  9  0.04  0.02  0.67  1.0
  Mg  Mg8  9  0.12  0.06  0.8  1.0
  Mg  Mg9  3  0.0  0.0  0.91  1.0

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