data_[Sc8Bi6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.2602]
_cell_length_b [8.1533]
_cell_length_c [5.9777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Sc4Bi3N]
_chemical_formula_sum '[Sc8 Bi6 N2]'
_cell_volume [451.3239]
_cell_formula_units_Z [2]
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  4  0.1946  0.2918  0.0695  1
  Sc  Sc1  2  0.0000  0.1734  0.6437  1
  Sc  Sc2  2  0.0000  0.9113  0.0644  1
  Bi  Bi3  4  0.2353  0.6563  0.0590  1
  Bi  Bi4  2  0.0000  0.8279  0.5552  1
  N  N5  2  0.0000  0.1681  0.9948  1
]