data_Hf2ZnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   137.65
_cell_angle_beta   136.0
_cell_angle_gamma   62.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZnSb
_chemical_formula_sum   'Hf2 Zn1 Sb1'
_cell_volume   81.35
_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  0.02  0.0  0.75  1.0
  Hf  Hf1  1  0.0  0.0  0.17  1.0
  Zn  Zn3  1  0.0  0.0  0.4  1.0
  Sb  Sb2  1  0.02  0.0  0.03  1.0

data_Hf2ZnSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.2
_cell_length_c   5.6
_cell_angle_alpha   112.0
_cell_angle_beta   111.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZnSb
_chemical_formula_sum   'Hf2 Zn1 Sb1'
_cell_volume   81.35
_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  0.27  0.25  0.27  1.0
  Hf  Hf1  1  0.83  0.83  0.83  1.0
  Zn  Zn2  1  0.6  0.6  0.6  1.0
  Sb  Sb3  1  0.99  0.97  0.99  1.0

Hf Hf Zn Sb
Hf Hf Zn Sb 0 3 o o + 1 3 o o o 1 2 o o o 