data_Ba2NaHf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   6.9
_cell_angle_alpha   135.07
_cell_angle_beta   135.07
_cell_angle_gamma   65.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NaHf
_chemical_formula_sum   'Ba2 Na1 Hf1'
_cell_volume   161.72
_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  0.64  0.0  0.9  1.0
  Ba  Ba1  1  0.0  0.0  0.81  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.0  0.64  0.9  1.0

data_Ba2NaHf
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   6.9
_cell_angle_alpha   112.47
_cell_angle_beta   112.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NaHf
_chemical_formula_sum   'Ba2 Na1 Hf1'
_cell_volume   161.72
_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  0.81  0.81  0.81  1.0
  Ba  Ba1  1  0.9  0.27  0.27  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Hf  Hf3  1  0.27  0.9  0.27  1.0

Ba Ba Na Hf