data_[Na2Tl4Au4I12]
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
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5705]
_cell_length_b [7.7753]
_cell_length_c [8.8563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.2903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTl2(AuI3)2]
_chemical_formula_sum '[Na2 Tl4 Au4 I12]'
_cell_volume [916.2385]
_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  0.0000  0.5000  0.5000  1.0
  Tl  Tl1  4  0.2485  0.5000  0.2268  1.0
  Au  Au2  4  0.0520  0.0000  0.2114  1.0
  I  I3  8  0.0775  0.2593  0.8334  1.0
  I  I4  4  0.2488  0.5000  0.6301  1.0
]