data_HfAgRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   141.54
_cell_angle_beta   141.54
_cell_angle_gamma   55.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAgRh
_chemical_formula_sum   'Hf1 Ag1 Rh1'
_cell_volume   53.09
_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  0.91  1.0
  Ag  Ag0  1  0.0  0.0  0.01  1.0
  Rh  Rh2  1  0.0  0.0  0.24  1.0

data_HfAgRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   117.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfAgRh
_chemical_formula_sum   'Hf2 Ag2 Rh2'
_cell_volume   106.19
_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  0.09  1.0
  Ag  Ag1  2  0.0  0.0  0.99  1.0
  Rh  Rh2  2  0.0  0.0  0.76  1.0

Hf Ag Rh
Hf Ag Rh 0 1 o o + 1 2 o o o 