data_[Sc20Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.0697]
_cell_length_b [8.7285]
_cell_length_c [7.6116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sc5Sb3]
_chemical_formula_sum '[Sc20 Sb12]'
_cell_volume [735.4515]
_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
[
  Sc  Sc0  8  0.0650  0.5601  0.1948  1
  Sc  Sc1  4  0.0053  0.7500  0.5238  1
  Sc  Sc2  4  0.2132  0.2500  0.8423  1
  Sc  Sc3  4  0.2306  0.7500  0.8238  1
  Sb  Sb4  8  0.1747  0.0098  0.5644  1
  Sb  Sb5  4  0.0243  0.2500  0.0945  1
]