data_[Hf4P8H16O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.1553]
_cell_length_b [5.2923]
_cell_length_c [16.6917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HfP2H4O9]
_chemical_formula_sum '[Hf4 P8 H16 O36]'
_cell_volume [758.9853]
_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
[
  Hf  Hf0  4  0.2595  0.7450  0.5154  1
  P  P1  4  0.0346  0.2494  0.3979  1
  P  P2  4  0.4989  0.2453  0.6100  1
  H  H3  4  0.0843  0.2494  0.2761  1
  H  H4  4  0.2069  0.2410  0.6782  1
  H  H5  4  0.2944  0.0918  0.7598  1
  H  H6  4  0.3469  0.5983  0.7682  1
  O  O7  4  0.0042  0.7372  0.2012  1
  O  O8  4  0.0950  0.5132  0.4325  1
  O  O9  4  0.1223  0.6958  0.0905  1
  O  O10  4  0.1581  0.0509  0.4427  1
  O  O11  4  0.2391  0.2470  0.2403  1
  O  O12  4  0.3726  0.0519  0.0951  1
  O  O13  4  0.3944  0.6946  0.4407  1
  O  O14  4  0.3996  0.7397  0.2907  1
  O  O15  4  0.4301  0.5208  0.0935  1
]