data_[Na8Mg4Pb12]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0965]
_cell_length_b [10.5898]
_cell_length_c [11.0056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2MgPb3]
_chemical_formula_sum '[Na8 Mg4 Pb12]'
_cell_volume [695.3647]
_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  0.1632  0.5000  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Na  Na2  2  0.0000  0.5000  0.5000  1.0
  Mg  Mg3  4  0.0000  0.3330  0.0000  1.0
  Pb  Pb4  8  0.2451  0.3259  0.7595  1.0
  Pb  Pb5  4  0.2288  0.5000  0.2404  1.0
]