data_[Sc16Cr8P12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6230]
_cell_length_b [5.5628]
_cell_length_c [11.9703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9152]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc4Cr2(PN)3]
_chemical_formula_sum '[Sc16 Cr8 P12 N12]'
_cell_volume [619.1848]
_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  0.1185  0.0853  0.6045  1
  Sc  Sc1  8  0.2162  0.0794  0.8956  1
  Cr  Cr2  8  0.0462  0.4255  0.4131  1
  P  P3  8  0.1388  0.4428  0.7506  1
  P  P4  4  0.0000  0.1411  0.2500  1
  N  N5  8  0.0831  0.2511  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]