data_[Li12Sm8B12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P2_1/c]
_cell_length_a [5.7738]
_cell_length_b [14.1694]
_cell_length_c [9.3280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li3Sm2(BO3)3]
_chemical_formula_sum '[Li12 Sm8 B12 O36]'
_cell_volume [702.1077]
_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
[
  Li  Li0  4  0.0905  0.6651  0.0177  1
  Li  Li1  4  0.0933  0.2173  0.2933  1
  Li  Li2  4  0.4370  0.1039  0.2915  1
  Sm  Sm3  4  0.1518  0.0044  0.8407  1
  Sm  Sm4  4  0.4430  0.6650  0.8072  1
  B  B5  4  0.1112  0.1634  0.0268  1
  B  B6  4  0.2363  0.0158  0.4858  1
  B  B7  4  0.3895  0.6753  0.4790  1
  O  O8  4  0.0026  0.6667  0.6347  1
  O  O9  4  0.1579  0.0740  0.0928  1
  O  O10  4  0.1812  0.2439  0.1169  1
  O  O11  4  0.1843  0.5655  0.8956  1
  O  O12  4  0.1877  0.1027  0.4137  1
  O  O13  4  0.2883  0.6678  0.3178  1
  O  O14  4  0.3393  0.0109  0.6473  1
  O  O15  4  0.4167  0.7386  0.0534  1
  O  O16  4  0.4571  0.5930  0.5677  1
]