data_[Sc8Nb16Bi12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Nb  1.6000  1.4500  0.8200
  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 [10.2365]
_cell_length_b [5.9677]
_cell_length_c [13.8403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc2Nb4(BiN)3]
_chemical_formula_sum '[Sc8 Nb16 Bi12 N12]'
_cell_volume [820.2344]
_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  0.0590  0.4145  0.9170  1
  Nb  Nb1  8  0.1090  0.0700  0.0732  1
  Nb  Nb2  8  0.2190  0.0902  0.4266  1
  Bi  Bi3  8  0.1702  0.4101  0.2495  1
  Bi  Bi4  4  0.0000  0.0779  0.7500  1
  N  N5  8  0.0776  0.2657  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]