data_[La6Sm18O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [10.0094]
_cell_length_b [10.0094]
_cell_length_c [11.8520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [LaSm3O6]
_chemical_formula_sum '[La6 Sm18 O36]'
_cell_volume [1028.3357]
_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
[
  La  La0  3  0.0000  0.0000  0.0000  1
  La  La1  3  0.0000  0.0000  0.5000  1
  Sm  Sm2  18  0.0363  0.7721  0.7123  1
  O  O3  18  0.0255  0.8011  0.9035  1
  O  O4  18  0.0283  0.8408  0.3639  1
]