data_[Sr2Hf2Cr4O16]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4208]
_cell_length_b [5.5590]
_cell_length_c [7.3780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrHfCr2O8]
_chemical_formula_sum '[Sr2 Hf2 Cr4 O16]'
_cell_volume [344.8058]
_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  0.5000  1
  Hf  Hf1  2  0.0000  0.0000  0.0000  1
  Cr  Cr2  4  0.1238  0.5000  0.7633  1
  O  O3  8  0.0096  0.2438  0.7869  1
  O  O4  4  0.2077  0.5000  0.5653  1
  O  O5  4  0.2373  0.0000  0.0565  1
]