data_[Na2Tl6Sb2]
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 [Pmmn]
_cell_length_a [4.8880]
_cell_length_b [8.7688]
_cell_length_c [7.5593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [NaTl3Sb]
_chemical_formula_sum '[Na2 Tl6 Sb2]'
_cell_volume [324.0086]
_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  0.2697  1.0
  Tl  Tl1  4  0.0000  0.2937  0.7281  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0385  1.0
  Sb  Sb3  2  0.0000  0.0000  0.4488  1.0
]