data_[Sc24Ag8N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [9.2414]
_cell_length_b [13.0169]
_cell_length_c [6.2576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sc3AgN]
_chemical_formula_sum '[Sc24 Ag8 N8]'
_cell_volume [752.7534]
_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  0.0000  0.1152  0.7081  1
  Sc  Sc1  8  0.2323  0.5000  0.5000  1
  Sc  Sc2  8  0.2500  0.2297  0.2500  1
  Ag  Ag3  8  0.0000  0.1062  0.2401  1
  N  N4  8  0.2500  0.1147  0.7500  1
]