data_[Cs2Mg2Tl2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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/m]
_cell_length_a [8.1723]
_cell_length_b [8.4343]
_cell_length_c [10.4280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsMgTlI4]
_chemical_formula_sum '[Cs2 Mg2 Tl2 I8]'
_cell_volume [683.7708]
_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
[
  Cs  Cs0  2  0.2565  0.2500  0.0613  1
  Mg  Mg1  2  0.2203  0.7500  0.3175  1
  Tl  Tl2  2  0.2290  0.2500  0.5504  1
  I  I3  4  0.0012  0.5041  0.7338  1
  I  I4  2  0.4090  0.7500  0.1406  1
  I  I5  2  0.4263  0.7500  0.5787  1
]