data_Ba2HfZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   3.39
_cell_angle_alpha   97.55
_cell_angle_beta   97.55
_cell_angle_gamma   121.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HfZr
_chemical_formula_sum   'Ba2 Hf1 Zr1'
_cell_volume   134.29
_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  0.24  0.03  0.63  1.0
  Ba  Ba1  1  0.24  0.97  0.63  1.0
  Hf  Hf2  1  0.39  0.0  0.0  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0

data_Ba2HfZr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   6.71
_cell_length_c   6.95
_cell_angle_alpha   115.23
_cell_angle_beta   97.55
_cell_angle_gamma   103.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HfZr
_chemical_formula_sum   'Ba2 Hf1 Zr1'
_cell_volume   134.29
_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  0.6  0.97  0.21  1.0
  Ba  Ba1  1  0.67  0.03  0.27  1.0
  Hf  Hf2  1  0.0  0.0  0.39  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0

Ba Ba Hf Zr