data_HfZrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.27
_cell_length_c   3.3
_cell_angle_alpha   80.58
_cell_angle_beta   73.63
_cell_angle_gamma   25.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrBi
_chemical_formula_sum   'Hf1 Zr1 Bi1'
_cell_volume   73.0
_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  Hf1  1  0.98  0.63  0.36  1.0
  Zr  Zr2  1  0.98  0.63  0.62  1.0
  Bi  Bi0  1  0.98  0.63  0.01  1.0

data_HfZrBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.96
_cell_length_b   13.99
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   126.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfZrBi
_chemical_formula_sum   'Hf2 Zr2 Bi2'
_cell_volume   146.0
_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
  Hf  Hf0  2  0.02  0.0  0.66  1.0
  Zr  Zr1  2  0.26  0.5  0.4  1.0
  Bi  Bi2  2  0.38  0.0  0.01  1.0

Hf Zr Bi
Hf Zr Bi 0 1 o o o 0 2 o o o 1 2 o o + 