data_[Sm12Sc4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.0908]
_cell_length_b [13.9679]
_cell_length_c [7.9281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Sm3ScSb2]
_chemical_formula_sum '[Sm12 Sc4 Sb8]'
_cell_volume [785.2200]
_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  8  0.0000  0.2062  0.2500  1
  Sm  Sm1  4  0.0000  0.5000  0.2500  1
  Sc  Sc2  4  0.0000  0.0000  0.0000  1
  Sb  Sb3  8  0.1857  0.3569  0.0000  1
]