data_[Mg2Tl4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [8.1116]
_cell_length_b [8.3473]
_cell_length_c [9.5956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg(TlI2)2]
_chemical_formula_sum '[Mg2 Tl4 I8]'
_cell_volume [619.3007]
_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
[
  Mg  Mg0  2  0.2672  0.7500  0.1971  1.0
  Tl  Tl1  2  0.2635  0.2500  0.4398  1.0
  Tl  Tl2  2  0.2704  0.2500  0.9431  1.0
  I  I3  4  0.4976  0.0028  0.2578  1.0
  I  I4  2  0.0692  0.7500  0.3819  1.0
  I  I5  2  0.0738  0.7500  0.9090  1.0
]