data_HfIr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.26
_cell_length_b   10.26
_cell_length_c   10.26
_cell_angle_alpha   16.39
_cell_angle_beta   16.39
_cell_angle_gamma   16.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIr2Cl
_chemical_formula_sum   'Hf1 Ir2 Cl1'
_cell_volume   75.01
_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  0.62  1.0
  Ir  Ir2  1  0.0  0.0  0.23  1.0
  Ir  Ir3  1  0.0  0.0  0.21  1.0
  Cl  Cl0  1  0.0  0.0  0.85  1.0

data_HfIr2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   2.93
_cell_length_c   10.26
_cell_angle_alpha   90.0
_cell_angle_beta   99.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfIr2Cl
_chemical_formula_sum   'Hf2 Ir4 Cl2'
_cell_volume   150.01
_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  0.38  1.0
  Ir  Ir1  2  0.0  0.0  0.77  1.0
  Ir  Ir2  2  0.0  0.0  0.79  1.0
  Cl  Cl3  2  0.0  0.0  0.15  1.0

Hf Ir Ir Cl