data_[Na5Tl1Ag5]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.5496]
_cell_length_b [5.5496]
_cell_length_c [10.6395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Na5TlAg5]
_chemical_formula_sum '[Na5 Tl1 Ag5]'
_cell_volume [283.7721]
_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  0.0000  0.0000  0.3340  1.0
  Na  Na1  2  0.3333  0.6667  0.7984  1.0
  Na  Na2  1  0.6667  0.3333  0.0000  1.0
  Tl  Tl3  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag4  3  0.0024  0.5012  0.5000  1.0
  Ag  Ag5  2  0.6667  0.3333  0.7261  1.0
]