data_BaHfBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   4.13
_cell_length_c   8.58
_cell_angle_alpha   90.0
_cell_angle_beta   98.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHfBi2
_chemical_formula_sum   'Ba1 Hf1 Bi2'
_cell_volume   123.95
_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  0.4  0.0  0.25  1.0
  Bi  Bi1  1  0.6  0.07  0.46  1.0
  Bi  Bi2  1  0.73  0.07  0.04  1.0

data_BaHfBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.13
_cell_length_c   8.58
_cell_angle_alpha   90.0
_cell_angle_beta   98.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHfBi2
_chemical_formula_sum   'Ba1 Hf1 Bi2'
_cell_volume   123.95
_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  0.4  0.0  0.25  1.0
  Bi  Bi2  1  0.6  0.07  0.46  1.0
  Bi  Bi3  1  0.73  0.07  0.04  1.0

Ba Hf Bi Bi