data_[Ba3Si6Pb6O21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [5.5936]
_cell_length_b [5.5936]
_cell_length_c [23.4245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [BaSi2Pb2O7]
_chemical_formula_sum '[Ba3 Si6 Pb6 O21]'
_cell_volume [634.7237]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.5000  1.0
  Si  Si1  6  0.0000  0.0000  0.0717  1.0
  Pb  Pb2  6  0.0000  0.0000  0.2926  1.0
  O  O3  18  0.0367  0.4088  0.5734  1.0
  O  O4  3  0.0000  0.0000  0.0000  1.0
]