data_[Ca3Nd6Pb3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.9583]
_cell_length_b [5.9583]
_cell_length_c [15.3831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CaNd2PbO6]
_chemical_formula_sum '[Ca3 Nd6 Pb3 O18]'
_cell_volume [472.9482]
_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  0.1928  1
  Nd  Nd1  3  0.0000  0.0000  0.4702  1
  Nd  Nd2  3  0.0000  0.0000  0.9698  1
  Pb  Pb3  3  0.0000  0.0000  0.6867  1
  O  O4  9  0.0507  0.3516  0.7518  1
  O  O5  9  0.0571  0.6793  0.2545  1
]