data_[Mo4H4O12]
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]
_cell_length_a [15.5123]
_cell_length_b [3.9618]
_cell_length_c [3.9618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [MoHO3]
_chemical_formula_sum '[Mo4 H4 O12]'
_cell_volume [242.6411]
_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  0.0827  0.0378  0.7791  1.0
  H  H1  4  0.2399  0.1501  0.9913  1.0
  O  O2  4  0.0555  0.9775  0.2647  1.0
  O  O3  4  0.0832  0.4850  0.7602  1.0
  O  O4  4  0.2076  0.9696  0.8494  1.0
]