data_BaSrHf2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   4.26
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrHf2
_chemical_formula_sum   'Ba1 Sr1 Hf2'
_cell_volume   141.97
_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  0.79  0.13  0.49  1.0
  Sr  Sr3  1  0.0  0.0  0.09  1.0
  Hf  Hf1  1  0.0  0.0  0.6  1.0
  Hf  Hf2  1  0.79  0.13  0.8  1.0

data_BaSrHf2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.26
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSrHf2
_chemical_formula_sum   'Ba1 Sr1 Hf2'
_cell_volume   141.97
_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  0.79  0.13  0.49  1.0
  Sr  Sr1  1  0.0  0.0  0.09  1.0
  Hf  Hf2  1  0.0  0.0  0.6  1.0
  Hf  Hf3  1  0.79  0.13  0.8  1.0

Ba Sr Hf Hf