data_[Mg2Tl2Ga2I8]
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
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9030]
_cell_length_b [8.3803]
_cell_length_c [9.4312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgTlGaI4]
_chemical_formula_sum '[Mg2 Tl2 Ga2 I8]'
_cell_volume [597.9433]
_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  0.2373  0.7500  0.3179  1.0
  Tl  Tl1  2  0.2154  0.2500  0.0510  1.0
  Ga  Ga2  2  0.2352  0.2500  0.5543  1.0
  I  I3  4  0.0035  0.0031  0.2594  1.0
  I  I4  2  0.4474  0.7500  0.1330  1.0
  I  I5  2  0.4542  0.7500  0.6019  1.0
]