data_[Mo4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.4417]
_cell_length_b [5.4255]
_cell_length_c [5.5309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [MoO3]
_chemical_formula_sum '[Mo4 O12]'
_cell_volume [232.3282]
_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  0.2695  0.2543  0.5092  1.0
  O  O1  4  0.2222  0.4965  0.6734  1.0
  O  O2  4  0.2720  0.0053  0.2116  1.0
  O  O3  4  0.4968  0.3001  0.6920  1.0
]