data_[Sr2Hf2Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [P4_2nm]
_cell_length_a [5.0284]
_cell_length_b [5.0284]
_cell_length_c [9.8796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [SrHfMoO6]
_chemical_formula_sum '[Sr2 Hf2 Mo2 O12]'
_cell_volume [249.8031]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.9997  1
  Hf  Hf1  2  0.0000  0.0000  0.3345  1
  Mo  Mo2  2  0.0000  0.0000  0.6676  1
  O  O3  4  0.1680  0.8320  0.5084  1
  O  O4  4  0.2117  0.7883  0.7958  1
  O  O5  4  0.2304  0.7696  0.1949  1
]