data_[Rb12Mg4I24]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [15.6573]
_cell_length_b [20.2525]
_cell_length_c [6.9207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb3MgI6]
_chemical_formula_sum '[Rb12 Mg4 I24]'
_cell_volume [2194.5320]
_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  8  0.1830  0.1200  0.9687  1.0
  Rb  Rb1  4  0.0000  0.3824  0.9480  1.0
  Mg  Mg2  4  0.0000  0.2070  0.5462  1.0
  I  I3  8  0.1466  0.2709  0.6653  1.0
  I  I4  8  0.1620  0.4977  0.2127  1.0
  I  I5  4  0.0000  0.0756  0.6460  1.0
  I  I6  4  0.0000  0.2137  0.1516  1.0
]