data_HfZnRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   122.4
_cell_angle_beta   120.22
_cell_angle_gamma   87.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZnRh2
_chemical_formula_sum   'Hf1 Zn1 Rh2'
_cell_volume   61.47
_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  0.22  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.22  0.61  1.0
  Rh  Rh2  1  0.15  0.0  0.6  1.0

data_HfZnRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.45
_cell_length_c   4.46
_cell_angle_alpha   119.89
_cell_angle_beta   118.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZnRh2
_chemical_formula_sum   'Hf1 Zn1 Rh2'
_cell_volume   61.47
_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  0.22  0.22  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.6  0.45  1.0
  Rh  Rh3  1  0.78  0.39  0.39  1.0

Hf Zn Rh Rh
Hf Zn Rh Rh 0 1 o o o 2 3 o o o 