data_[Na8Tl10Pb6]
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 [15.3206]
_cell_length_b [5.9783]
_cell_length_c [9.3618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na4Tl5Pb3]
_chemical_formula_sum '[Na8 Tl10 Pb6]'
_cell_volume [744.4099]
_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  4  0.0579  0.0000  0.2158  1
  Na  Na1  4  0.2272  0.5000  0.7480  1
  Tl  Tl2  4  0.0705  0.5000  0.9186  1
  Tl  Tl3  4  0.1815  0.0000  0.8702  1
  Tl  Tl4  2  0.0000  0.5000  0.5000  1
  Pb  Pb5  4  0.2193  0.5000  0.3818  1
  Pb  Pb6  2  0.0000  0.0000  0.5000  1
]