data_Ba4SrHf5O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.59
_cell_length_b   12.59
_cell_length_c   12.59
_cell_angle_alpha   27.27
_cell_angle_beta   27.27
_cell_angle_gamma   27.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4SrHf5O15
_chemical_formula_sum   'Ba4 Sr1 Hf5 O15'
_cell_volume   369.49
_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
  Ba  Ba0  1  0.0  0.0  0.81  1.0
  Ba  Ba1  1  0.0  0.0  0.27  1.0
  Ba  Ba2  1  0.0  0.0  0.07  1.0
  Ba  Ba3  1  0.0  0.0  0.53  1.0
  Sr  Sr4  1  0.0  0.0  0.0  1.0
  Hf  Hf5  1  0.0  0.0  0.43  1.0
  Hf  Hf6  1  0.0  0.0  0.17  1.0
  Hf  Hf7  1  0.0  0.0  0.62  1.0
  Hf  Hf8  1  0.0  0.0  0.91  1.0
  Hf  Hf9  1  0.0  0.0  0.71  1.0
  O  O10  1  0.52  0.14  0.11  1.0
  O  O11  1  0.48  0.86  0.95  1.0
  O  O12  1  0.51  0.14  0.63  1.0
  O  O13  1  0.49  0.86  0.71  1.0
  O  O14  1  0.52  0.14  0.38  1.0
  O  O15  1  0.0  0.72  0.63  1.0
  O  O16  1  0.0  0.71  0.38  1.0
  O  O17  1  0.0  0.29  0.95  1.0
  O  O18  1  0.0  0.71  0.11  1.0
  O  O19  1  0.0  0.28  0.71  1.0
  O  O20  1  0.49  0.14  0.63  1.0
  O  O21  1  0.48  0.14  0.38  1.0
  O  O22  1  0.52  0.86  0.95  1.0
  O  O23  1  0.48  0.14  0.11  1.0
  O  O24  1  0.51  0.86  0.71  1.0

data_Ba4SrHf5O15
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   12.59
_cell_angle_alpha   76.36
_cell_angle_beta   76.36
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4SrHf5O15
_chemical_formula_sum   'Ba4 Sr1 Hf5 O15'
_cell_volume   369.49
_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
  Ba  Ba0  1  0.0  0.19  0.81  1.0
  Ba  Ba1  1  0.0  0.47  0.53  1.0
  Ba  Ba2  1  0.0  0.73  0.27  1.0
  Ba  Ba3  1  0.0  0.93  0.07  1.0
  Sr  Sr4  1  0.0  0.0  0.0  1.0
  Hf  Hf5  1  0.0  0.09  0.91  1.0
  Hf  Hf6  1  0.0  0.29  0.71  1.0
  Hf  Hf7  1  0.0  0.38  0.62  1.0
  Hf  Hf8  1  0.0  0.57  0.43  1.0
  Hf  Hf9  1  0.0  0.83  0.17  1.0
  O  O10  1  0.14  0.29  0.06  1.0
  O  O11  1  0.14  0.29  0.08  1.0
  O  O12  1  0.14  0.05  0.3  1.0
  O  O13  1  0.14  0.05  0.33  1.0
  O  O14  1  0.28  0.37  0.35  1.0
  O  O15  1  0.29  0.62  0.09  1.0
  O  O16  1  0.29  0.89  0.82  1.0
  O  O17  1  0.71  0.05  0.24  1.0
  O  O18  1  0.72  0.29  0.98  1.0
  O  O19  1  0.86  0.89  0.74  1.0
  O  O20  1  0.86  0.89  0.77  1.0
  O  O21  1  0.86  0.62  0.01  1.0
  O  O22  1  0.86  0.62  0.04  1.0
  O  O23  1  0.86  0.37  0.26  1.0
  O  O24  1  0.86  0.37  0.27  1.0

Ba Ba Ba Ba Sr Hf Hf Hf Hf Hf O O O O O O O O O O O O O O O
Ba Ba Ba Ba Sr Hf Hf Hf Hf Hf O O O O O O O O O O O O O O O 0 9 o o o 0 8 o o o 0 18 o - + 1 6 o o o 1 17 o o - 2 4 o o o 2 6 o o o 2 16 o - o 3 5 o o o 3 7 o o o 4 8 o o - 4 19 o o - 5 15 o - o 6 16 o - o 6 17 o o - 7 9 o o o 8 18 o - + 8 19 o o o 10 23 o o o 11 22 o o o 12 20 o o o 13 24 o o o 14 21 o o o 