data_[Sm4B4O12]
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 [P-1]
_cell_length_a [6.3173]
_cell_length_b [6.5248]
_cell_length_c [6.5321]
_cell_angle_alpha [93.1096]
_cell_angle_beta [106.2215]
_cell_angle_gamma [107.0296]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SmBO3]
_chemical_formula_sum '[Sm4 B4 O12]'
_cell_volume [244.4638]
_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  2  0.0467  0.2658  0.8328  1.0
  Sm  Sm1  2  0.4420  0.8129  0.7220  1.0
  B  B2  2  0.0173  0.2401  0.2805  1.0
  B  B3  2  0.4795  0.2738  0.7656  1.0
  O  O4  2  0.0450  0.7764  0.5353  1.0
  O  O5  2  0.0896  0.6448  0.8684  1.0
  O  O6  2  0.1512  0.1314  0.2150  1.0
  O  O7  2  0.3724  0.1284  0.8864  1.0
  O  O8  2  0.3843  0.7967  0.3379  1.0
  O  O9  2  0.4256  0.4607  0.7504  1.0
]