data_[Sc24As9P3Se9]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.6828]
_cell_length_b [7.6828]
_cell_length_c [18.8778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sc8As3PSe3]
_chemical_formula_sum '[Sc24 As9 P3 Se9]'
_cell_volume [964.9800]
_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  0.0168  0.5084  0.7486  1.0
  Sc  Sc1  6  0.0000  0.0000  0.2447  1.0
  As  As2  9  0.0000  0.5000  0.5000  1.0
  P  P3  3  0.0000  0.0000  0.0000  1.0
  Se  Se4  9  0.0000  0.5000  0.0000  1.0
]