data_[Na9Tl2Ag1]
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-1]
_cell_length_a [6.1739]
_cell_length_b [8.2543]
_cell_length_c [8.5587]
_cell_angle_alpha [105.1821]
_cell_angle_beta [110.8469]
_cell_angle_gamma [104.9674]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na9Tl2Ag]
_chemical_formula_sum '[Na9 Tl2 Ag1]'
_cell_volume [362.2840]
_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  0.0246  0.3591  0.2941  1
  Na  Na1  2  0.4494  0.1493  0.9237  1
  Na  Na2  2  0.4758  0.4699  0.7696  1
  Na  Na3  2  0.4899  0.1621  0.3970  1
  Na  Na4  1  0.0000  0.0000  0.5000  1
  Tl  Tl5  2  0.0517  0.7112  0.1551  1
  Ag  Ag6  1  0.0000  0.0000  0.0000  1
]