data_[Rb6Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.0403]
_cell_length_b [14.7870]
_cell_length_c [7.2880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Rb3Mg]
_chemical_formula_sum '[Rb6 Mg2]'
_cell_volume [543.1823]
_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  4  0.0000  0.2906  0.9250  1
  Rb  Rb1  2  0.0000  0.5000  0.4151  1
  Mg  Mg2  2  0.0000  0.0000  0.4016  1
]