data_[Zr16N4O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5897]
_cell_length_b [6.5268]
_cell_length_c [5.6909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr8N2O3]
_chemical_formula_sum '[Zr16 N4 O6]'
_cell_volume [393.3289]
_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
[
  Zr  Zr0  8  0.1283  0.2484  0.3411  1
  Zr  Zr1  4  0.1294  0.5000  0.8304  1
  Zr  Zr2  4  0.1307  0.0000  0.8237  1
  N  N3  4  0.2427  0.5000  0.4972  1
  O  O4  4  0.0000  0.2461  0.0000  1
  O  O5  2  0.0000  0.0000  0.5000  1
]