data_[Na12Tl6Sn2]
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 [12.5913]
_cell_length_b [3.4998]
_cell_length_c [13.6666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na6Tl3Sn]
_chemical_formula_sum '[Na12 Tl6 Sn2]'
_cell_volume [595.7103]
_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  0.1189  0.7500  0.4775  1.0
  Na  Na1  2  0.1768  0.2500  0.9123  1.0
  Na  Na2  2  0.2231  0.2500  0.2919  1.0
  Na  Na3  2  0.2567  0.2500  0.7027  1.0
  Na  Na4  2  0.3516  0.7500  0.1102  1.0
  Na  Na5  2  0.4970  0.2500  0.3135  1.0
  Tl  Tl6  2  0.0801  0.7500  0.1087  1.0
  Tl  Tl7  2  0.3722  0.2500  0.5013  1.0
  Tl  Tl8  2  0.4191  0.7500  0.8971  1.0
  Sn  Sn9  2  0.0305  0.7500  0.7183  1.0
]