data_Ba2HfPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   132.33
_cell_angle_beta   132.33
_cell_angle_gamma   69.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HfPb
_chemical_formula_sum   'Ba2 Hf1 Pb1'
_cell_volume   139.44
_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  0.0  0.0  1.0
  Ba  Ba1  1  0.58  0.0  0.62  1.0
  Hf  Hf2  1  0.0  0.0  0.24  1.0
  Pb  Pb3  1  0.0  0.58  0.62  1.0

data_Ba2HfPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   6.38
_cell_angle_alpha   113.84
_cell_angle_beta   113.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HfPb
_chemical_formula_sum   'Ba2 Hf1 Pb1'
_cell_volume   139.44
_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  0.0  0.0  1.0
  Ba  Ba1  1  0.38  0.0  0.96  1.0
  Hf  Hf2  1  0.76  0.0  0.76  1.0
  Pb  Pb3  1  0.96  0.58  0.96  1.0

Ba Ba Hf Pb