data_[Zr4Nb4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9580]
_cell_length_b [10.6490]
_cell_length_c [5.1454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.4603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ZrNbO4]
_chemical_formula_sum '[Zr4 Nb4 O16]'
_cell_volume [281.2666]
_cell_formula_units_Z [4]
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  4  0.0000  0.3684  0.7500  1
  Nb  Nb1  4  0.0000  0.1030  0.2500  1
  O  O2  8  0.1696  0.2137  0.1453  1
  O  O3  8  0.2397  0.4695  0.2586  1
]