data_[Na16Tl6Pb4]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4740]
_cell_length_b [9.2484]
_cell_length_c [6.5735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na8Tl3Pb2]
_chemical_formula_sum '[Na16 Tl6 Pb4]'
_cell_volume [866.0045]
_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  8  0.1250  0.3059  0.4474  1.0
  Na  Na1  4  0.0974  0.5000  0.8898  1.0
  Na  Na2  4  0.1923  0.0000  0.7996  1.0
  Tl  Tl3  4  0.0000  0.1812  0.0000  1.0
  Tl  Tl4  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb5  4  0.1961  0.0000  0.2828  1.0
]