data_Rb2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21
_cell_length_b   8.21
_cell_length_c   14.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2Mg
_chemical_formula_sum   'Rb8 Mg4'
_cell_volume   825.87
_cell_formula_units_Z   4
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  Rb4  1  0.0  0.0  0.0  1.0
  Rb  Rb5  1  0.0  0.0  0.08  1.0
  Rb  Rb6  1  0.0  0.46  0.62  1.0
  Rb  Rb7  1  0.03  0.88  0.62  1.0
  Rb  Rb8  1  0.13  0.23  0.54  1.0
  Rb  Rb9  1  0.97  0.88  0.62  1.0
  Rb  Rb10  1  0.07  0.23  0.54  1.0
  Rb  Rb11  1  0.1  0.64  0.54  1.0
  Mg  Mg0  1  0.0  0.74  0.06  1.0
  Mg  Mg1  1  0.0  0.74  0.02  1.0
  Mg  Mg2  1  0.1  0.37  0.14  1.0
  Mg  Mg3  1  0.1  0.37  0.1  1.0

data_Rb2Mg
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.21
_cell_length_b   8.21
_cell_length_c   14.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2Mg
_chemical_formula_sum   'Rb8 Mg4'
_cell_volume   825.87
_cell_formula_units_Z   4
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  0.0  0.0  1.0
  Rb  Rb1  1  0.0  0.0  0.08  1.0
  Rb  Rb2  1  0.0  0.46  0.62  1.0
  Rb  Rb3  1  0.03  0.88  0.62  1.0
  Rb  Rb4  1  0.07  0.23  0.54  1.0
  Rb  Rb5  1  0.1  0.64  0.54  1.0
  Rb  Rb6  1  0.13  0.23  0.54  1.0
  Rb  Rb7  1  0.97  0.88  0.62  1.0
  Mg  Mg8  1  0.0  0.74  0.02  1.0
  Mg  Mg9  1  0.0  0.74  0.06  1.0
  Mg  Mg10  1  0.1  0.37  0.1  1.0
  Mg  Mg11  1  0.1  0.37  0.14  1.0

Rb Rb Rb Rb Rb Rb Rb Rb Mg Mg Mg Mg
Rb Rb Rb Rb Rb Rb Rb Rb Mg Mg Mg Mg 0 1 o o o 2 7 o o o 3 5 - o o 4 6 o o o 8 9 o o o 10 11 o o o 