data_[Sm2O3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2862]
_cell_length_b [16.5955]
_cell_length_c [16.5955]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sm2O3]
_chemical_formula_sum '[Sm2 O3]'
_cell_volume [1499.3284]
_cell_formula_units_Z [1]
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
[
  Sm  Sm0  1  0.2557  0.0526  0.4600  1
  Sm  Sm1  1  0.6914  0.0375  0.5753  1
  O  O2  1  0.4697  0.9492  0.4492  1
  O  O3  1  0.5971  0.8952  0.4794  1
  O  O4  1  0.9861  0.0654  0.5361  1
]