data_[La8Nb2N10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [7.9733]
_cell_length_b [7.9733]
_cell_length_c [5.3308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [La4NbN5]
_chemical_formula_sum '[La8 Nb2 N10]'
_cell_volume [338.9000]
_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
[
  La  La0  8  0.1088  0.3038  0.5011  1.0
  Nb  Nb1  2  0.0000  0.0000  0.0583  1.0
  N  N2  8  0.0885  0.2611  0.0073  1.0
  N  N3  2  0.0000  0.0000  0.4188  1.0
]