data_Hf2ZnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   136.41
_cell_angle_beta   136.41
_cell_angle_gamma   63.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZnIr
_chemical_formula_sum   'Hf2 Zn1 Ir1'
_cell_volume   70.76
_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  0.98  0.0  0.26  1.0
  Hf  Hf1  1  0.0  0.0  0.53  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.98  0.26  1.0

data_Hf2ZnIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   5.32
_cell_angle_alpha   111.79
_cell_angle_beta   111.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZnIr
_chemical_formula_sum   'Hf2 Zn1 Ir1'
_cell_volume   70.76
_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  0.47  0.0  0.47  1.0
  Hf  Hf1  1  0.74  0.0  0.71  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.71  0.98  0.71  1.0

Hf Hf Zn Ir