data_HfCu2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   135.11
_cell_angle_beta   135.11
_cell_angle_gamma   65.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCu2Rh
_chemical_formula_sum   'Hf1 Cu2 Rh1'
_cell_volume   58.41
_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  Hf2  1  0.0  0.0  0.14  1.0
  Cu  Cu0  1  0.88  0.0  0.07  1.0
  Cu  Cu1  1  0.0  0.88  0.07  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_HfCu2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   122.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCu2Rh
_chemical_formula_sum   'Hf2 Cu4 Rh2'
_cell_volume   116.82
_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  0.36  0.5  0.86  1.0
  Cu  Cu1  4  0.37  0.44  0.81  1.0
  Rh  Rh2  2  0.0  0.0  0.0  1.0

Hf Cu Cu Rh
Hf Cu Cu Rh 0 1 - o o 0 2 o - o 0 3 o o o 