data_[Na2Tl2Ga2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [9.0866]
_cell_length_b [4.5559]
_cell_length_c [11.7785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTlGaI3]
_chemical_formula_sum '[Na2 Tl2 Ga2 I6]'
_cell_volume [471.5534]
_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
[
  Na  Na0  2  0.3479  0.7500  0.8465  1.0
  Tl  Tl1  2  0.2605  0.2500  0.2923  1.0
  Ga  Ga2  2  0.0961  0.2500  0.5390  1.0
  I  I3  2  0.0802  0.2500  0.7779  1.0
  I  I4  2  0.3366  0.7500  0.5652  1.0
  I  I5  2  0.3875  0.7500  0.1226  1.0
]