data_[Ca6V6Pb3O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [R3m]
_cell_length_a [5.7296]
_cell_length_b [5.7296]
_cell_length_c [19.3817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ca2V2PbO8]
_chemical_formula_sum '[Ca6 V6 Pb3 O24]'
_cell_volume [551.0336]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.0002  1.0
  Ca  Ca1  3  0.0000  0.0000  0.8052  1.0
  V  V2  3  0.0000  0.0000  0.4038  1.0
  V  V3  3  0.0000  0.0000  0.5980  1.0
  Pb  Pb4  3  0.0000  0.0000  0.1953  1.0
  O  O5  9  0.0043  0.5021  0.7637  1.0
  O  O6  9  0.1675  0.3349  0.5678  1.0
  O  O7  3  0.0000  0.0000  0.3162  1.0
  O  O8  3  0.0000  0.0000  0.6866  1.0
]