data_[Sc8Sb1S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.6166]
_cell_length_b [9.6166]
_cell_length_c [3.6915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Sc8SbS6]
_chemical_formula_sum '[Sc8 Sb1 S6]'
_cell_volume [295.6520]
_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
[
  Sc  Sc0  6  0.0353  0.6981  0.2567  1
  Sc  Sc1  2  0.3333  0.6667  0.7452  1
  Sb  Sb2  1  0.0000  0.0000  0.5000  1
  S  S3  6  0.1355  0.4775  0.2460  1
]