data_[Y6Nb2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.8148]
_cell_length_b [7.8951]
_cell_length_c [6.7347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Y3NbN4]
_chemical_formula_sum '[Y6 Nb2 N8]'
_cell_volume [256.0086]
_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
[
  Y  Y0  4  0.0000  0.2516  0.3282  1
  Y  Y1  2  0.0000  0.5000  0.8447  1
  Nb  Nb2  2  0.0000  0.0000  0.8259  1
  N  N3  4  0.0000  0.2347  0.6837  1
  N  N4  2  0.0000  0.0000  0.1315  1
  N  N5  2  0.0000  0.5000  0.1742  1
]