data_[Na12Sm4B8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [6.5298]
_cell_length_b [8.6737]
_cell_length_c [11.9686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6971]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3Sm(BO3)2]
_chemical_formula_sum '[Na12 Sm4 B8 O24]'
_cell_volume [570.4615]
_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
[
  Na  Na0  4  0.0769  0.1854  0.1023  1
  Na  Na1  4  0.0792  0.0572  0.3859  1
  Na  Na2  4  0.3339  0.7323  0.8457  1
  Sm  Sm3  4  0.4894  0.6165  0.6451  1
  B  B4  4  0.0818  0.1022  0.8624  1
  B  B5  4  0.3697  0.5661  0.1248  1
  O  O6  4  0.1165  0.6054  0.6274  1
  O  O7  4  0.1209  0.2173  0.7955  1
  O  O8  4  0.2507  0.5193  0.4143  1
  O  O9  4  0.2889  0.0834  0.6154  1
  O  O10  4  0.3212  0.6522  0.0165  1
  O  O11  4  0.4969  0.6342  0.2505  1
]