data_[Pr6Sm18O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.9959]
_cell_length_b [9.9959]
_cell_length_c [11.8127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [PrSm3O6]
_chemical_formula_sum '[Pr6 Sm18 O36]'
_cell_volume [1022.1785]
_cell_formula_units_Z [6]
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
[
  Pr  Pr0  3  0.0000  0.0000  0.0000  1
  Pr  Pr1  3  0.0000  0.0000  0.5000  1
  Sm  Sm2  18  0.0369  0.2645  0.7117  1
  O  O3  18  0.0260  0.2232  0.9033  1
  O  O4  18  0.0283  0.1881  0.3655  1
]