data_[Mo4H8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  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 [8.0311]
_cell_length_b [4.4967]
_cell_length_c [8.2560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mo(HO2)2]
_chemical_formula_sum '[Mo4 H8 O16]'
_cell_volume [274.9662]
_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
[
  Mo  Mo0  4  0.0000  0.0978  0.7500  1
  H  H1  8  0.1378  0.3496  0.6317  1
  O  O2  8  0.0108  0.3064  0.5846  1
  O  O3  8  0.2211  0.1529  0.3558  1
]