data_Hf2GeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35
_cell_length_b   7.35
_cell_length_c   7.35
_cell_angle_alpha   149.56
_cell_angle_beta   149.56
_cell_angle_gamma   43.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2GeIr2
_chemical_formula_sum   'Hf2 Ge1 Ir2'
_cell_volume   101.6
_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  0.43  1.0
  Hf  Hf2  1  0.0  0.0  0.22  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.93  0.41  1.0
  Ir  Ir4  1  0.93  0.0  0.41  1.0

data_Hf2GeIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   111.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2GeIr2
_chemical_formula_sum   'Hf4 Ge2 Ir4'
_cell_volume   203.21
_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  0.0  0.0  0.57  1.0
  Hf  Hf1  2  0.0  0.0  0.78  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  4  0.46  0.46  0.52  1.0

Hf Hf Ge Ir Ir