data_[Zr4Nb4O14]
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/m]
_cell_length_a [6.5973]
_cell_length_b [8.2894]
_cell_length_c [5.9537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6439]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2Nb2O7]
_chemical_formula_sum '[Zr4 Nb4 O14]'
_cell_volume [322.7032]
_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  4  0.2414  0.5000  0.6216  1
  Nb  Nb1  4  0.0000  0.3432  0.0000  1
  O  O2  8  0.2421  0.2063  0.1959  1
  O  O3  4  0.0774  0.5000  0.2923  1
  O  O4  2  0.0000  0.0000  0.5000  1
]