data_[Sc24Sb8S8]
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 [C2/c]
_cell_length_a [11.0128]
_cell_length_b [13.1275]
_cell_length_c [6.1012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc3SbS]
_chemical_formula_sum '[Sc24 Sb8 S8]'
_cell_volume [875.3918]
_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
[
  Sc  Sc0  8  0.1024  0.3550  0.0433  1
  Sc  Sc1  8  0.1313  0.2043  0.6243  1
  Sc  Sc2  8  0.1350  0.0719  0.1155  1
  Sb  Sb3  8  0.1658  0.4198  0.5228  1
  S  S4  4  0.0000  0.0638  0.7500  1
  S  S5  4  0.0000  0.2100  0.2500  1
]