data_HfZn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   4.15
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2Bi
_chemical_formula_sum   'Hf1 Zn2 Bi1'
_cell_volume   83.36
_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  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.68  0.08  0.28  1.0
  Zn  Zn3  1  0.68  0.08  0.69  1.0
  Bi  Bi0  1  0.0  0.0  0.98  1.0

data_HfZn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.15
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2Bi
_chemical_formula_sum   'Hf1 Zn2 Bi1'
_cell_volume   83.36
_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  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.68  0.08  0.28  1.0
  Zn  Zn2  1  0.68  0.08  0.69  1.0
  Bi  Bi3  1  0.0  0.0  0.98  1.0

Hf Zn Zn Bi
Hf Zn Zn Bi 0 3 o o - 0 1 - o o 0 2 - o - 1 3 + o - 1 2 o o o 2 3 + o o 