data_[Hf1Fe2Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3344]
_cell_length_b [5.3718]
_cell_length_c [5.6663]
_cell_angle_alpha [117.5124]
_cell_angle_beta [90.2367]
_cell_angle_gamma [119.5356]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HfFe2MoO6]
_chemical_formula_sum '[Hf1 Fe2 Mo1 O6]'
_cell_volume [119.5052]
_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
[
  Hf  Hf0  1  0.6851  0.3708  0.0530  1.0
  Fe  Fe1  1  0.4772  0.9483  0.4300  1.0
  Fe  Fe2  1  0.9666  0.9427  0.9220  1.0
  Mo  Mo3  1  0.1783  0.3635  0.5447  1.0
  O  O4  1  0.0659  0.4662  0.2630  1.0
  O  O5  1  0.3017  0.1955  0.7488  1.0
  O  O6  1  0.3903  0.1930  0.2532  1.0
  O  O7  1  0.5721  0.8685  0.7705  1.0
  O  O8  1  0.7862  0.8543  0.2664  1.0
  O  O9  1  0.9150  0.4740  0.7635  1.0
]