data_[Sr4Hf4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.8318]
_cell_length_b [8.2129]
_cell_length_c [5.8003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SrHfO3]
_chemical_formula_sum '[Sr4 Hf4 O12]'
_cell_volume [277.8116]
_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
[
  Sr  Sr0  4  0.0253  0.2500  0.0055  1.0
  Hf  Hf1  4  0.0000  0.0000  0.5000  1.0
  O  O2  8  0.2187  0.5354  0.7814  1.0
  O  O3  4  0.0146  0.7500  0.4326  1.0
]