data_BaSrHf2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   11.6
_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   136.55
_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  0.72  0.72  0.09  1.0
  Sr  Sr3  1  0.0  0.0  0.33  1.0
  Hf  Hf1  1  0.0  0.0  0.56  1.0
  Hf  Hf2  1  0.72  0.72  0.41  1.0

data_BaSrHf2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   11.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSrHf2
_chemical_formula_sum   'Ba2 Sr2 Hf4'
_cell_volume   273.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.22  0.5  0.09  1.0
  Sr  Sr1  2  0.0  0.0  0.33  1.0
  Hf  Hf2  2  0.0  0.0  0.56  1.0
  Hf  Hf3  2  0.22  0.5  0.41  1.0

Ba Sr Hf Hf