data_Ba2HfTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   8.68
_cell_angle_alpha   92.99
_cell_angle_beta   92.99
_cell_angle_gamma   37.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HfTa
_chemical_formula_sum   'Ba2 Hf1 Ta1'
_cell_volume   140.76
_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  0.04  0.0  0.53  1.0
  Ba  Ba1  1  0.05  0.0  0.97  1.0
  Hf  Hf2  1  0.57  0.0  0.63  1.0
  Ta  Ta3  1  0.21  0.0  0.87  1.0

data_Ba2HfTa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   5.14
_cell_length_c   8.68
_cell_angle_alpha   92.99
_cell_angle_beta   90.0
_cell_angle_gamma   108.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HfTa
_chemical_formula_sum   'Ba2 Hf1 Ta1'
_cell_volume   140.76
_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  0.95  0.03  1.0
  Ba  Ba1  1  0.0  0.96  0.47  1.0
  Hf  Hf2  1  0.0  0.43  0.37  1.0
  Ta  Ta3  1  0.0  0.79  0.13  1.0

Ba Ba Hf Ta