data_[Ca3Sm6Pb3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sm  1.1700  1.8500  1.2290
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.9064]
_cell_length_b [5.9064]
_cell_length_c [15.3917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CaSm2PbO6]
_chemical_formula_sum '[Ca3 Sm6 Pb3 O18]'
_cell_volume [465.0148]
_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  0.8062  1.0
  Sm  Sm1  3  0.0000  0.0000  0.0273  1.0
  Sm  Sm2  3  0.0000  0.0000  0.5272  1.0
  Pb  Pb3  3  0.0000  0.0000  0.3132  1.0
  O  O4  9  0.0035  0.7179  0.4133  1.0
  O  O5  9  0.0204  0.3782  0.5826  1.0
]