data_[Sc24As9P3S9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5141]
_cell_length_b [7.5141]
_cell_length_c [18.5928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sc8As3PS3]
_chemical_formula_sum '[Sc24 As9 P3 S9]'
_cell_volume [909.1285]
_cell_formula_units_Z [3]
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  18  0.0049  0.5025  0.7465  1.0
  Sc  Sc1  6  0.0000  0.0000  0.2508  1.0
  As  As2  9  0.0000  0.5000  0.5000  1.0
  P  P3  3  0.0000  0.0000  0.0000  1.0
  S  S4  9  0.0000  0.5000  0.0000  1.0
]