data_[Sc24Se4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6735]
_cell_length_b [10.5560]
_cell_length_c [6.2237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc6SeN2]
_chemical_formula_sum '[Sc24 Se4 N8]'
_cell_volume [700.9654]
_cell_formula_units_Z [4]
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  0.1003  0.4042  0.0091  1
  Sc  Sc1  8  0.1269  0.2413  0.5477  1
  Sc  Sc2  8  0.1761  0.0655  0.1749  1
  Se  Se3  4  0.0000  0.0993  0.7500  1
  N  N4  8  0.1102  0.4181  0.6720  1
]