data_[Sc8Fe12W16N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Fe  1.8300  1.4000  0.8525
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0008]
_cell_length_b [5.2091]
_cell_length_c [13.4151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9267]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc2Fe3W4N3]
_chemical_formula_sum '[Sc8 Fe12 W16 N12]'
_cell_volume [613.0404]
_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  0.0419  0.4178  0.3795  1
  Fe  Fe1  8  0.2477  0.3361  0.7500  1
  Fe  Fe2  4  0.0000  0.0791  0.7500  1
  W  W3  8  0.1120  0.0831  0.5896  1
  W  W4  8  0.2203  0.0841  0.9103  1
  N  N5  8  0.0771  0.2698  0.0003  1
  N  N6  4  0.2500  0.2500  0.5000  1
]