data_[Na5Li2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.8019]
_cell_length_b [3.1970]
_cell_length_c [10.5467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na5(LiTl2)2]
_chemical_formula_sum '[Na5 Li2 Tl4]'
_cell_volume [295.8240]
_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  0.1492  0.0000  0.1371  1
  Na  Na1  2  0.4566  0.0000  0.6602  1
  Na  Na2  1  0.5000  0.0000  0.0000  1
  Li  Li3  2  0.0745  0.0000  0.6285  1
  Tl  Tl4  2  0.2012  0.5000  0.8543  1
  Tl  Tl5  2  0.2245  0.5000  0.4244  1
]