data_Ba2HfTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HfTi
_chemical_formula_sum   'Ba2 Hf1 Ti1'
_cell_volume   126.59
_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  0.44  0.66  1.0
  Ba  Ba1  1  0.44  0.0  0.66  1.0
  Hf  Hf2  1  0.44  0.44  0.0  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0

data_Ba2HfTi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2HfTi
_chemical_formula_sum   'Ba4 Hf2 Ti2'
_cell_volume   253.18
_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  4  0.22  0.22  0.66  1.0
  Hf  Hf1  2  0.44  0.0  0.0  1.0
  Ti  Ti2  2  0.0  0.0  0.0  1.0

Ba Ba Hf Ti
Ba2HfTi crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent Hf(1) and two equivalent Ti(1) atoms. There are a spread of Ba(1)-Hf(1) bond distances ranging from 2.83-4.42 Å. There is one shorter (2.83 Å) and one longer (3.29 Å) Ba(1)-Ti(1) bond length. Hf(1) is bonded in a 12-coordinate geometry to eight equivalent Ba(1) and four equivalent Ti(1) atoms. There are a spread of Hf(1)-Ti(1) bond distances ranging from 3.05-3.86 Å. Ti(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1) and four equivalent Hf(1) atoms.