data_[Hf4Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6502]
_cell_length_b [3.3412]
_cell_length_c [4.0991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2MoO6]
_chemical_formula_sum '[Hf4 Mo2 O12]'
_cell_volume [207.1575]
_cell_formula_units_Z [2]
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
[
  Hf  Hf0  4  0.1727  0.5000  0.1710  1.0
  Mo  Mo1  2  0.0000  0.0000  0.5000  1.0
  O  O2  4  0.0618  0.5000  0.7780  1.0
  O  O3  4  0.1056  0.0000  0.2982  1.0
  O  O4  4  0.2339  0.5000  0.7472  1.0
]