data_[Zr8H24O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2603]
_cell_length_b [5.5258]
_cell_length_c [10.1114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2H6O7]
_chemical_formula_sum '[Zr8 H24 O28]'
_cell_volume [572.0214]
_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  8  0.1635  0.3627  0.3582  1
  H  H1  8  0.0554  0.1999  0.5722  1
  H  H2  8  0.1276  0.1913  0.0024  1
  H  H3  8  0.1713  0.1135  0.8323  1
  O  O4  8  0.1075  0.3064  0.9297  1
  O  O5  8  0.1378  0.1535  0.5321  1
  O  O6  8  0.2252  0.0107  0.2866  1
  O  O7  4  0.0000  0.3127  0.2500  1
]