data_Mo2HO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.85
_cell_length_c   8.15
_cell_angle_alpha   77.05
_cell_angle_beta   88.9
_cell_angle_gamma   89.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2HO6
_chemical_formula_sum   'Mo2 H1 O6'
_cell_volume   116.59
_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  0.89  0.84  0.41  1.0
  Mo  Mo1  1  0.09  0.84  0.47  1.0
  H  H2  1  0.44  0.61  0.73  1.0
  O  O3  1  0.99  0.82  0.02  1.0
  O  O4  1  0.98  0.83  0.93  1.0
  O  O5  1  0.89  0.9  0.39  1.0
  O  O6  1  0.09  0.75  0.67  1.0
  O  O7  1  0.78  0.79  0.3  1.0
  O  O8  1  0.13  0.81  0.75  1.0

data_Mo2HO6
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.85
_cell_length_c   8.15
_cell_angle_alpha   77.05
_cell_angle_beta   88.9
_cell_angle_gamma   89.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2HO6
_chemical_formula_sum   'Mo2 H1 O6'
_cell_volume   116.59
_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  0.09  0.84  0.47  1.0
  Mo  Mo1  1  0.89  0.84  0.41  1.0
  H  H2  1  0.44  0.61  0.73  1.0
  O  O3  1  0.09  0.75  0.67  1.0
  O  O4  1  0.13  0.81  0.75  1.0
  O  O5  1  0.78  0.79  0.3  1.0
  O  O6  1  0.89  0.9  0.39  1.0
  O  O7  1  0.98  0.83  0.93  1.0
  O  O8  1  0.99  0.82  0.02  1.0

Mo Mo H O O O O O O