data_HfZrBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   142.44
_cell_angle_beta   130.65
_cell_angle_gamma   63.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrBi2
_chemical_formula_sum   'Hf1 Zr1 Bi2'
_cell_volume   99.66
_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
  Hf  Hf2  1  0.0  0.51  0.01  1.0
  Zr  Zr3  1  0.0  0.0  0.65  1.0
  Bi  Bi0  1  0.0  0.51  0.99  1.0
  Bi  Bi1  1  0.0  0.0  0.69  1.0

data_HfZrBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   5.03
_cell_length_c   6.02
_cell_angle_alpha   114.68
_cell_angle_beta   108.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrBi2
_chemical_formula_sum   'Hf1 Zr1 Bi2'
_cell_volume   99.66
_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
  Hf  Hf0  1  0.99  0.51  0.51  1.0
  Zr  Zr1  1  0.35  0.35  0.35  1.0
  Bi  Bi2  1  0.01  0.52  0.52  1.0
  Bi  Bi3  1  0.31  0.31  0.31  1.0

Hf Zr Bi Bi