data_[Sc8V16As12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  V  1.6300  1.3500  0.7775
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4154]
_cell_length_b [5.5159]
_cell_length_c [12.2109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc2V4(AsN)3]
_chemical_formula_sum '[Sc8 V16 As12 N12]'
_cell_volume [612.6954]
_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  0.0479  0.4180  0.3959  1
  V  V1  8  0.1120  0.0786  0.5797  1
  V  V2  8  0.2198  0.0843  0.9203  1
  As  As3  8  0.1867  0.3945  0.7503  1
  As  As4  4  0.0000  0.0477  0.2500  1
  N  N5  8  0.0826  0.2514  0.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]