data_[Na3Sm9B8O27]
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 [P-62m]
_cell_length_a [8.7538]
_cell_length_b [8.7538]
_cell_length_c [8.4114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Na3Sm9B8O27]
_chemical_formula_sum '[Na3 Sm9 B8 O27]'
_cell_volume [558.1990]
_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
[
  Na  Na0  3  0.0000  0.3362  0.0000  1
  Sm  Sm1  6  0.0000  0.6515  0.2355  1
  Sm  Sm2  3  0.0000  0.2819  0.5000  1
  B  B3  4  0.3333  0.6667  0.3245  1
  B  B4  2  0.0000  0.0000  0.2100  1
  B  B5  2  0.3333  0.6667  0.0000  1
  O  O6  12  0.1762  0.5105  0.3176  1
  O  O7  6  0.0000  0.1584  0.2127  1
  O  O8  6  0.1792  0.6775  0.0000  1
  O  O9  3  0.0000  0.7436  0.5000  1
]