data_Hf2RhCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2RhCl
_chemical_formula_sum   'Hf2 Rh1 Cl1'
_cell_volume   71.94
_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  0.62  0.81  0.53  1.0
  Hf  Hf2  1  0.62  0.19  0.53  1.0
  Rh  Rh3  1  0.24  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Hf2RhCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   96.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2RhCl
_chemical_formula_sum   'Hf2 Rh1 Cl1'
_cell_volume   71.94
_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  0.53  0.62  0.19  1.0
  Hf  Hf1  1  0.53  0.62  0.81  1.0
  Rh  Rh2  1  0.0  0.24  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Hf Hf Rh Cl
Hf Hf Rh Cl 0 1 o + o 2 3 o o o 