data_Ba2SrHf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72
_cell_length_b   7.72
_cell_length_c   7.72
_cell_angle_alpha   149.82
_cell_angle_beta   130.09
_cell_angle_gamma   59.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrHf
_chemical_formula_sum   'Ba2 Sr1 Hf1'
_cell_volume   175.59
_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  0.26  0.82  1.0
  Ba  Ba1  1  0.01  0.0  0.89  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.0  0.0  0.71  1.0

data_Ba2SrHf
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   6.51
_cell_length_c   7.72
_cell_angle_alpha   114.95
_cell_angle_beta   105.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrHf
_chemical_formula_sum   'Ba2 Sr1 Hf1'
_cell_volume   175.59
_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  0.89  0.88  1.0
  Ba  Ba1  1  0.74  0.56  0.56  1.0
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Hf  Hf3  1  0.0  0.71  0.71  1.0

Ba Ba Sr Hf