data_[Na24Ca3Pb18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.6184]
_cell_length_b [9.6184]
_cell_length_c [18.9157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na8CaPb6]
_chemical_formula_sum '[Na24 Ca3 Pb18]'
_cell_volume [1515.5050]
_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  0.0254  0.7736  0.1973  1.0
  Na  Na1  6  0.0000  0.0000  0.3881  1.0
  Ca  Ca2  3  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  18  0.0070  0.6893  0.6965  1.0
]