data_SrCaHf2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13
_cell_length_b   5.71
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaHf2O6
_chemical_formula_sum   'Sr2 Ca2 Hf4 O12'
_cell_volume   269.38
_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  1  0.07  0.37  0.7  1.0
  Sr  Sr1  1  0.07  0.34  0.6  1.0
  Ca  Ca2  1  0.0  0.48  0.13  1.0
  Ca  Ca3  1  0.0  0.23  0.23  1.0
  Hf  Hf4  1  0.14  0.29  0.9  1.0
  Hf  Hf5  1  1.0  0.42  0.0  1.0
  Hf  Hf6  1  1.0  0.29  0.9  1.0
  Hf  Hf7  1  0.14  0.42  0.0  1.0
  O  O8  1  0.0  0.87  0.62  1.0
  O  O9  1  0.0  0.84  0.71  1.0
  O  O10  1  0.07  0.85  0.11  1.0
  O  O11  1  0.07  0.85  0.01  1.0
  O  O12  1  0.53  0.09  0.59  1.0
  O  O13  1  0.6  0.62  0.69  1.0
  O  O14  1  0.35  0.49  0.24  1.0
  O  O15  1  0.78  0.22  0.14  1.0
  O  O16  1  0.78  0.49  0.24  1.0
  O  O17  1  0.35  0.22  0.14  1.0
  O  O18  1  0.6  0.09  0.59  1.0
  O  O19  1  0.53  0.62  0.69  1.0

data_SrCaHf2O6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.71
_cell_length_b   5.81
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaHf2O6
_chemical_formula_sum   'Sr2 Ca2 Hf4 O12'
_cell_volume   269.38
_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  1  0.34  0.6  0.07  1.0
  Sr  Sr1  1  0.37  0.7  0.07  1.0
  Ca  Ca2  1  0.23  0.23  0.0  1.0
  Ca  Ca3  1  0.48  0.13  0.0  1.0
  Hf  Hf4  1  0.29  0.9  0.14  1.0
  Hf  Hf5  1  0.29  0.9  1.0  1.0
  Hf  Hf6  1  0.42  0.0  0.14  1.0
  Hf  Hf7  1  0.42  0.0  1.0  1.0
  O  O8  1  0.09  0.59  0.53  1.0
  O  O9  1  0.09  0.59  0.6  1.0
  O  O10  1  0.22  0.14  0.35  1.0
  O  O11  1  0.22  0.14  0.78  1.0
  O  O12  1  0.49  0.24  0.35  1.0
  O  O13  1  0.49  0.24  0.78  1.0
  O  O14  1  0.62  0.69  0.53  1.0
  O  O15  1  0.62  0.69  0.6  1.0
  O  O16  1  0.84  0.71  0.0  1.0
  O  O17  1  0.85  0.01  0.07  1.0
  O  O18  1  0.85  0.11  0.07  1.0
  O  O19  1  0.87  0.62  0.0  1.0

Sr Sr Ca Ca Hf Hf Hf Hf O O O O O O O O O O O O