data_[Zr2O5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.5351]
_cell_length_b [3.9452]
_cell_length_c [6.3139]
_cell_angle_alpha [94.1770]
_cell_angle_beta [92.9939]
_cell_angle_gamma [90.7487]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zr2O5]
_chemical_formula_sum '[Zr2 O5]'
_cell_volume [87.6897]
_cell_formula_units_Z [1]
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  2  0.2221  0.2253  0.3038  1
  O  O1  2  0.2433  0.7471  0.4311  1
  O  O2  2  0.2912  0.6878  0.8494  1
  O  O3  1  0.0000  0.0000  0.0000  1
]