data_[Na12Tl16Ag8]
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 [Cccm]
_cell_length_a [8.9816]
_cell_length_b [15.6840]
_cell_length_c [6.6607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [66]
_chemical_formula_structural [Na3(Tl2Ag)2]
_chemical_formula_sum '[Na12 Tl16 Ag8]'
_cell_volume [938.2655]
_cell_formula_units_Z [4]
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  8  0.0000  0.1733  0.2500  1
  Na  Na1  4  0.0000  0.5000  0.2500  1
  Tl  Tl2  8  0.1578  0.3365  0.0000  1
  Tl  Tl3  8  0.1711  0.0113  0.5000  1
  Ag  Ag4  8  0.1701  0.6724  0.0000  1
]