data_RbMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   10.08
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg2
_chemical_formula_sum   'Rb2 Mg4'
_cell_volume   217.7
_cell_formula_units_Z   2
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  0.68  0.04  0.22  1.0
  Mg  Mg0  1  0.72  0.6  0.0  1.0
  Mg  Mg1  1  0.96  0.64  0.22  1.0
  Mg  Mg2  1  0.4  0.44  0.22  1.0
  Mg  Mg3  1  0.64  0.48  0.0  1.0

data_RbMg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   6.43
_cell_length_c   10.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbMg2
_chemical_formula_sum   'Rb2 Mg4'
_cell_volume   217.7
_cell_formula_units_Z   2
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  0.32  0.78  0.96  1.0
  Mg  Mg2  1  0.04  0.78  0.36  1.0
  Mg  Mg3  1  0.28  0.0  0.4  1.0
  Mg  Mg4  1  0.36  0.0  0.52  1.0
  Mg  Mg5  1  0.6  0.78  0.56  1.0

Rb Rb Mg Mg Mg Mg
Rb Rb Mg Mg Mg Mg 0 1 - o o 2 5 o o o 2 3 o o o 4 5 o o o 