data_[Na12Mg4Pb12]
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 [8.9469]
_cell_length_b [13.4311]
_cell_length_c [7.7463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3MgPb3]
_chemical_formula_sum '[Na12 Mg4 Pb12]'
_cell_volume [924.1151]
_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  0.1130  0.5000  1
  Na  Na1  4  0.0000  0.2339  0.0000  1
  Na  Na2  4  0.0977  0.5000  0.3278  1
  Mg  Mg3  4  0.2198  0.0000  0.2297  1
  Pb  Pb4  8  0.1582  0.3054  0.6340  1
  Pb  Pb5  4  0.1155  0.0000  0.8602  1
]