data_[Gd2Nb2N4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  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 [P1]
_cell_length_a [5.4938]
_cell_length_b [5.5680]
_cell_length_c [5.9379]
_cell_angle_alpha [91.7409]
_cell_angle_beta [116.4799]
_cell_angle_gamma [119.3105]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GdNbN2O]
_chemical_formula_sum '[Gd2 Nb2 N4 O2]'
_cell_volume [134.3823]
_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
[
  Gd  Gd0  1  0.2616  0.6376  0.9022  1
  Gd  Gd1  1  0.7189  0.3647  0.0975  1
  Nb  Nb2  1  0.3104  0.1818  0.4361  1
  Nb  Nb3  1  0.7205  0.8637  0.5650  1
  N  N4  1  0.1719  0.1892  0.7366  1
  N  N5  1  0.2228  0.4225  0.2417  1
  N  N6  1  0.4673  0.0207  0.2728  1
  N  N7  1  0.7511  0.5573  0.7274  1
  O  O8  1  0.5494  0.9685  0.7562  1
  O  O9  1  0.8261  0.7940  0.2646  1
]