data_[La8Nb8N16O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.0656]
_cell_length_b [8.1983]
_cell_length_c [11.4130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.7991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaNbN2O]
_chemical_formula_sum '[La8 Nb8 N16 O8]'
_cell_volume [535.5041]
_cell_formula_units_Z [8]
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  4  0.0297  0.7409  0.5147  1
  La  La1  4  0.4673  0.2416  0.9832  1
  Nb  Nb2  4  0.0192  0.5122  0.7645  1
  Nb  Nb3  4  0.4896  0.0107  0.7369  1
  N  N4  4  0.0085  0.2474  0.7187  1
  N  N5  4  0.1930  0.0341  0.4993  1
  N  N6  4  0.2928  0.5273  0.7916  1
  N  N7  4  0.4812  0.7439  0.7056  1
  O  O8  4  0.2110  0.0441  0.9992  1
  O  O9  4  0.3053  0.5393  0.3057  1
]