data_[Ce15Sm6O39]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.8537]
_cell_length_b [3.8537]
_cell_length_c [67.1697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ce5Sm2O13]
_chemical_formula_sum '[Ce15 Sm6 O39]'
_cell_volume [863.9016]
_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
[
  Ce  Ce0  3  0.0000  0.0000  0.1423  1.0
  Ce  Ce1  3  0.0000  0.0000  0.2844  1.0
  Ce  Ce2  3  0.0000  0.0000  0.4284  1.0
  Ce  Ce3  3  0.0000  0.0000  0.5707  1.0
  Ce  Ce4  3  0.0000  0.0000  0.8565  1.0
  Sm  Sm5  3  0.0000  0.0000  0.7165  1.0
  Sm  Sm6  3  0.0000  0.0000  0.9986  1.0
  O  O7  3  0.0000  0.0000  0.0312  1.0
  O  O8  3  0.0000  0.0000  0.1078  1.0
  O  O9  3  0.0000  0.0000  0.1789  1.0
  O  O10  3  0.0000  0.0000  0.2502  1.0
  O  O11  3  0.0000  0.0000  0.3253  1.0
  O  O12  3  0.0000  0.0000  0.3939  1.0
  O  O13  3  0.0000  0.0000  0.4647  1.0
  O  O14  3  0.0000  0.0000  0.5360  1.0
  O  O15  3  0.0000  0.0000  0.6069  1.0
  O  O16  3  0.0000  0.0000  0.7511  1.0
  O  O17  3  0.0000  0.0000  0.8218  1.0
  O  O18  3  0.0000  0.0000  0.8931  1.0
  O  O19  3  0.0000  0.0000  0.9631  1.0
]