data_[Sm16Si24B8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.6230]
_cell_length_b [8.4905]
_cell_length_c [13.3170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sm2Si3B]
_chemical_formula_sum '[Sm16 Si24 B8]'
_cell_volume [861.9203]
_cell_formula_units_Z [8]
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  0.0000  0.2449  0.0000  1.0
  Sm  Sm1  8  0.2500  0.2500  0.2500  1.0
  Si  Si2  16  0.2305  0.0000  0.4114  1.0
  Si  Si3  8  0.0000  0.0000  0.1783  1.0
  B  B4  8  0.0000  0.0000  0.3318  1.0
]