data_[Na4Tl8Ga4I20]
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 [Cmc2_1]
_cell_length_a [5.0768]
_cell_length_b [20.6754]
_cell_length_c [14.1329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaTl2GaI5]
_chemical_formula_sum '[Na4 Tl8 Ga4 I20]'
_cell_volume [1483.4551]
_cell_formula_units_Z [4]
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  4  0.0000  0.2066  0.0325  1.0
  Tl  Tl1  4  0.0000  0.1298  0.3308  1.0
  Tl  Tl2  4  0.0000  0.1352  0.6814  1.0
  Ga  Ga3  4  0.0000  0.4419  0.4376  1.0
  I  I4  4  0.0000  0.0436  0.0122  1.0
  I  I5  4  0.0000  0.2996  0.6761  1.0
  I  I6  4  0.0000  0.3152  0.3717  1.0
  I  I7  4  0.0000  0.3566  0.0120  1.0
  I  I8  4  0.0000  0.4958  0.7696  1.0
]