data_[Mo2H1O6]
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 [P1]
_cell_length_a [3.8097]
_cell_length_b [3.8370]
_cell_length_c [8.8755]
_cell_angle_alpha [79.5191]
_cell_angle_beta [80.8383]
_cell_angle_gamma [89.9737]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mo2HO6]
_chemical_formula_sum '[Mo2 H1 O6]'
_cell_volume [125.8939]
_cell_formula_units_Z [1]
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  1  0.3163  0.0667  0.8311  1.0
  Mo  Mo1  1  0.6930  0.9296  0.1639  1.0
  H  H2  1  0.5561  0.0012  0.4482  1.0
  O  O3  1  0.2124  0.9499  0.1112  1.0
  O  O4  1  0.3060  0.5560  0.8573  1.0
  O  O5  1  0.3932  0.1497  0.6319  1.0
  O  O6  1  0.6072  0.8189  0.3823  1.0
  O  O7  1  0.6936  0.4269  0.1634  1.0
  O  O8  1  0.7906  0.0382  0.8997  1.0
]