data_[Sc16V8Bi12N12]
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
  Bi  2.0200  1.6000  1.0350
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9967]
_cell_length_b [5.7953]
_cell_length_c [14.2972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc4V2(BiN)3]
_chemical_formula_sum '[Sc16 V8 Bi12 N12]'
_cell_volume [806.3276]
_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  0.1107  0.0884  0.0802  1
  Sc  Sc1  8  0.2250  0.0792  0.4200  1
  V  V2  8  0.0542  0.4262  0.9387  1
  Bi  Bi3  8  0.1600  0.4237  0.2505  1
  Bi  Bi4  4  0.0000  0.0969  0.7500  1
  N  N5  8  0.0843  0.2476  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]