data_[Na2Tl8Sn6]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.4148]
_cell_length_b [10.1950]
_cell_length_c [10.2931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [NaTl4Sn3]
_chemical_formula_sum '[Na2 Tl8 Sn6]'
_cell_volume [463.2765]
_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  0.3766  1
  Tl  Tl1  4  0.0000  0.2475  0.1339  1
  Tl  Tl2  2  0.0000  0.0000  0.8632  1
  Tl  Tl3  2  0.0000  0.5000  0.8650  1
  Sn  Sn4  4  0.0000  0.2530  0.6099  1
  Sn  Sn5  2  0.0000  0.0000  0.3849  1
]