data_[Ba12Ni6Ag6Pb36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ni  1.9100  1.3500  0.7400
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4961]
_cell_length_b [7.4961]
_cell_length_c [39.7088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2NiAgPb6]
_chemical_formula_sum '[Ba12 Ni6 Ag6 Pb36]'
_cell_volume [1932.3564]
_cell_formula_units_Z [6]
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
[
  Ba  Ba0  6  0.0000  0.0000  0.1108  1
  Ba  Ba1  6  0.0000  0.0000  0.2829  1
  Ni  Ni2  3  -0.0000  -0.0000  0.5000  1
  Ni  Ni3  3  0.0000  0.0000  0.0000  1
  Ag  Ag4  6  0.0000  0.0000  0.4260  1
  Pb  Pb5  18  0.0273  0.5137  0.2994  1
  Pb  Pb6  18  0.0346  0.5173  0.8647  1
]