data_[Na8Tl4Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.7417]
_cell_length_b [5.8965]
_cell_length_c [9.3995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2TlSb2]
_chemical_formula_sum '[Na8 Tl4 Sb8]'
_cell_volume [600.6980]
_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  8  0.1617  0.3371  0.1497  1.0
  Tl  Tl1  4  0.0000  0.2492  0.7500  1.0
  Sb  Sb2  8  0.1328  0.1627  0.4841  1.0
]