data_[Li4Sc8Nb4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [6.2571]
_cell_length_b [9.0802]
_cell_length_c [6.2619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [LiSc2NbN4]
_chemical_formula_sum '[Li4 Sc8 Nb4 N16]'
_cell_volume [355.7748]
_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
[
  Li  Li0  4  0.0000  0.0000  0.4382  1.0
  Sc  Sc1  8  0.2500  0.2500  0.1864  1.0
  Nb  Nb2  4  0.0000  0.0000  0.9063  1.0
  N  N3  8  0.0000  0.2304  0.9399  1.0
  N  N4  8  0.2422  0.0000  0.7001  1.0
]