data_[Zr4H8O12]
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 [10.9544]
_cell_length_b [4.0206]
_cell_length_c [6.6710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.4141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ZrH2O3]
_chemical_formula_sum '[Zr4 H8 O12]'
_cell_volume [233.3632]
_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  0.4884  0.7500  1
  H  H1  8  0.2318  0.2886  0.2343  1
  O  O2  8  0.1612  0.4943  0.1610  1
  O  O3  4  0.0000  0.0073  0.2500  1
]