data_[Na36Ga3Pb18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.6705]
_cell_length_b [11.6705]
_cell_length_c [14.7289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na12GaPb6]
_chemical_formula_sum '[Na36 Ga3 Pb18]'
_cell_volume [1737.3090]
_cell_formula_units_Z [3]
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  18  0.0447  0.1900  0.8170  1
  Na  Na1  18  0.0651  0.8357  0.4145  1
  Ga  Ga2  3  0.0000  0.0000  0.0000  1
  Pb  Pb3  18  0.0334  0.4493  0.7072  1
]