data_[Sm12B4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.9863]
_cell_length_b [11.3026]
_cell_length_c [5.2751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm3BO6]
_chemical_formula_sum '[Sm12 B4 O24]'
_cell_volume [535.7856]
_cell_formula_units_Z [4]
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  8  0.1909  0.1101  0.9748  1.0
  Sm  Sm1  4  0.0000  0.3942  0.9305  1.0
  B  B2  4  0.0000  0.1932  0.5270  1.0
  O  O3  8  0.1357  0.2539  0.6459  1.0
  O  O4  8  0.1599  0.4883  0.2074  1.0
  O  O5  4  0.0000  0.0668  0.6302  1.0
  O  O6  4  0.0000  0.2032  0.2415  1.0
]