data_[Na4Tl6Sn4]
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 [C2/m]
_cell_length_a [10.8550]
_cell_length_b [4.6914]
_cell_length_c [8.2172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4799]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Tl3Sn2]
_chemical_formula_sum '[Na4 Tl6 Sn4]'
_cell_volume [410.0892]
_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  0.0640  0.5000  0.7130  1.0
  Tl  Tl1  4  0.2190  0.5000  0.1490  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn3  4  0.1609  0.0000  0.4388  1.0
]