data_[Sc24H12C9N3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.6348]
_cell_length_b [6.6348]
_cell_length_c [15.6462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sc8H4C3N]
_chemical_formula_sum '[Sc24 H12 C9 N3]'
_cell_volume [596.4727]
_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  0.0014  0.5007  0.7431  1.0
  Sc  Sc1  6  0.0000  0.0000  0.2564  1.0
  H  H2  9  0.0000  0.5000  0.5000  1.0
  H  H3  3  -0.0000  -0.0000  0.5000  1.0
  C  C4  9  0.0000  0.5000  0.0000  1.0
  N  N5  3  0.0000  0.0000  0.0000  1.0
]