data_[Rb4Mg2Tl2I12]
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
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3294]
_cell_length_b [8.7213]
_cell_length_c [14.6003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7175]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2MgTlI6]
_chemical_formula_sum '[Rb4 Mg2 Tl2 I12]'
_cell_volume [871.7920]
_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  0.2797  0.5818  0.7527  1.0
  Mg  Mg1  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  I  I3  4  0.1728  0.5062  0.2635  1.0
  I  I4  4  0.2513  0.1819  0.0422  1.0
  I  I5  4  0.3608  0.7116  0.0447  1.0
]