data_[In18Ag3Pb36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.0414]
_cell_length_b [15.0414]
_cell_length_c [8.5886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [In6AgPb12]
_chemical_formula_sum '[In18 Ag3 Pb36]'
_cell_volume [1682.7837]
_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
[
  In  In0  18  0.0153  0.8828  0.6725  1
  Ag  Ag1  3  0.0000  0.0000  0.0000  1
  Pb  Pb2  18  0.0354  0.7573  0.3447  1
  Pb  Pb3  18  0.0769  0.5128  0.6620  1
]