data_[Na7Tl2Pb3]
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 [P2/m]
_cell_length_a [5.5570]
_cell_length_b [3.5999]
_cell_length_c [18.6840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na7Tl2Pb3]
_chemical_formula_sum '[Na7 Tl2 Pb3]'
_cell_volume [369.7896]
_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  0.0953  0.5000  0.2085  1.0
  Na  Na1  2  0.2697  0.5000  0.5378  1.0
  Na  Na2  2  0.4376  0.0000  0.8580  1.0
  Na  Na3  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  2  0.3575  0.5000  0.7055  1.0
  Pb  Pb5  2  0.1791  0.0000  0.3737  1.0
  Pb  Pb6  1  0.5000  0.5000  0.0000  1.0
]