data_[Na10Tl2]
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
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [9.7514]
_cell_length_b [9.7514]
_cell_length_c [18.2489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Na5Tl]
_chemical_formula_sum '[Na10 Tl2]'
_cell_volume [1502.8045]
_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  6  0.2047  0.4138  0.5713  1
  Na  Na1  3  0.0000  0.5720  0.3933  1
  Na  Na2  1  0.0000  0.0000  0.4945  1
  Tl  Tl3  2  0.3333  0.6667  0.4487  1
]