data_[Na4Tl8Pb1]
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 [Pmm2]
_cell_length_a [4.7985]
_cell_length_b [4.9591]
_cell_length_c [16.9744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Na4Tl8Pb]
_chemical_formula_sum '[Na4 Tl8 Pb1]'
_cell_volume [403.9277]
_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  1  0.0000  0.0000  0.0576  1
  Na  Na1  1  0.0000  0.5000  0.6241  1
  Na  Na2  1  0.5000  0.0000  0.9059  1
  Na  Na3  1  0.5000  0.5000  0.3809  1
  Tl  Tl4  1  0.0000  0.0000  0.4994  1
  Tl  Tl5  1  0.0000  0.0000  0.7683  1
  Tl  Tl6  1  0.0000  0.5000  0.2001  1
  Tl  Tl7  1  0.0000  0.5000  0.9057  1
  Tl  Tl8  1  0.5000  0.0000  0.1932  1
  Tl  Tl9  1  0.5000  0.0000  0.6279  1
  Tl  Tl10  1  0.5000  0.5000  0.0564  1
  Tl  Tl11  1  0.5000  0.5000  0.7630  1
  Pb  Pb12  1  0.0000  0.0000  0.3205  1
]