data_[Rb1Ce1Mg2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5845]
_cell_length_b [7.5989]
_cell_length_c [10.4344]
_cell_angle_alpha [78.8062]
_cell_angle_beta [77.6990]
_cell_angle_gamma [77.7134]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbCe(MgI4)2]
_chemical_formula_sum '[Rb1 Ce1 Mg2 I8]'
_cell_volume [567.0916]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.5000  1.0
  Ce  Ce1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.4477  0.4583  0.7104  1.0
  I  I3  2  0.2136  0.7547  0.2200  1.0
  I  I4  2  0.2500  0.2906  0.9577  1.0
  I  I5  2  0.2805  0.8161  0.7685  1.0
  I  I6  2  0.3072  0.3530  0.5187  1.0
]