data_[Na3Tl2Sn4]
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 [P-1]
_cell_length_a [5.3422]
_cell_length_b [6.2435]
_cell_length_c [9.0154]
_cell_angle_alpha [87.9792]
_cell_angle_beta [73.6407]
_cell_angle_gamma [65.2368]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na3(TlSn2)2]
_chemical_formula_sum '[Na3 Tl2 Sn4]'
_cell_volume [260.8125]
_cell_formula_units_Z [1]
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  0.0391  0.2704  0.6415  1.0
  Na  Na1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.3326  0.6534  0.6672  1.0
  Sn  Sn3  2  0.3213  0.3603  0.9961  1.0
  Sn  Sn4  2  0.3457  0.0493  0.2659  1.0
]