data_[Hf2Ta2N2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  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]
_cell_length_a [5.0723]
_cell_length_b [5.1287]
_cell_length_c [5.3047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [HfTaNO3]
_chemical_formula_sum '[Hf2 Ta2 N2 O6]'
_cell_volume [136.2039]
_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
[
  Hf  Hf0  2  0.2819  0.5389  0.4633  1.0
  Ta  Ta1  2  0.2880  0.9459  0.9626  1.0
  N  N2  2  0.4477  0.2337  0.2116  1.0
  O  O3  2  0.0606  0.6892  0.0997  1.0
  O  O4  2  0.0756  0.8442  0.6010  1.0
  O  O5  2  0.4461  0.2473  0.7288  1.0
]