data_BaHfGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   3.11
_cell_angle_alpha   94.28
_cell_angle_beta   94.28
_cell_angle_gamma   92.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHfGe2
_chemical_formula_sum   'Ba1 Hf1 Ge2'
_cell_volume   98.28
_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
  Hf  Hf3  1  0.9  0.0  0.0  1.0
  Ge  Ge1  1  0.78  0.04  0.55  1.0
  Ge  Ge2  1  0.78  0.96  0.55  1.0

data_BaHfGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   92.5
_cell_angle_beta   94.28
_cell_angle_gamma   94.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHfGe2
_chemical_formula_sum   'Ba1 Hf1 Ge2'
_cell_volume   98.28
_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
  Hf  Hf1  1  0.0  0.9  0.0  1.0
  Ge  Ge2  1  0.55  0.78  0.04  1.0
  Ge  Ge3  1  0.55  0.78  0.96  1.0

Ba Hf Ge Ge