data_[Na4Mg8Tl20Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5415]
_cell_length_b [16.9503]
_cell_length_c [17.4246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaMg2Tl5Pb]
_chemical_formula_sum '[Na4 Mg8 Tl20 Pb4]'
_cell_volume [1045.9912]
_cell_formula_units_Z [4]
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  0.0000  0.4498  0.4125  1.0
  Mg  Mg1  4  0.0000  0.0759  0.7156  1.0
  Mg  Mg2  4  0.0000  0.1358  0.4034  1.0
  Tl  Tl3  4  0.0000  0.0663  0.0913  1.0
  Tl  Tl4  4  0.0000  0.2634  0.6312  1.0
  Tl  Tl5  4  0.0000  0.2863  0.2912  1.0
  Tl  Tl6  4  0.0000  0.4018  0.0545  1.0
  Tl  Tl7  4  0.0000  0.4239  0.7624  1.0
  Pb  Pb8  4  0.0000  0.2183  0.9617  1.0
]