data_[Na6Tl2Sn2]
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 [7.3685]
_cell_length_b [4.6983]
_cell_length_c [8.1441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na3TlSn]
_chemical_formula_sum '[Na6 Tl2 Sn2]'
_cell_volume [281.9087]
_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  0.0602  0.7500  0.3379  1
  Na  Na1  2  0.2435  0.7500  0.7479  1
  Na  Na2  2  0.4451  0.7500  0.1560  1
  Tl  Tl3  2  0.3498  0.2500  0.4634  1
  Sn  Sn4  2  0.1363  0.2500  0.0309  1
]