data_[Cs3V6Pb6O21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  V  1.6300  1.3500  0.7775
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [6.0438]
_cell_length_b [6.0438]
_cell_length_c [25.7500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [CsV2Pb2O7]
_chemical_formula_sum '[Cs3 V6 Pb6 O21]'
_cell_volume [814.5567]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.5000  1.0
  V  V1  6  0.0000  0.0000  0.0707  1.0
  Pb  Pb2  6  0.0000  0.0000  0.2890  1.0
  O  O3  18  0.0203  0.4465  0.5756  1.0
  O  O4  3  0.0000  0.0000  0.0000  1.0
]