data_[Na8Tl2Sn4]
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 [P2_1/m]
_cell_length_a [8.2618]
_cell_length_b [6.2075]
_cell_length_c [9.1961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na4TlSn2]
_chemical_formula_sum '[Na8 Tl2 Sn4]'
_cell_volume [426.5948]
_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  4  0.4268  0.0034  0.7812  1.0
  Na  Na1  2  0.0315  0.2500  0.4185  1.0
  Na  Na2  2  0.1702  0.7500  0.2781  1.0
  Tl  Tl3  2  0.1761  0.2500  0.0707  1.0
  Sn  Sn4  2  0.2078  0.7500  0.9465  1.0
  Sn  Sn5  2  0.4268  0.2500  0.4572  1.0
]