data_HfGeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   147.97
_cell_angle_beta   147.97
_cell_angle_gamma   45.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGeRh
_chemical_formula_sum   'Hf1 Ge1 Rh1'
_cell_volume   49.65
_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  0.45  1.0
  Ge  Ge0  1  0.0  0.0  0.16  1.0
  Rh  Rh2  1  0.0  0.0  0.74  1.0

data_HfGeRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   112.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfGeRh
_chemical_formula_sum   'Hf2 Ge2 Rh2'
_cell_volume   99.29
_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  0.55  1.0
  Ge  Ge1  2  0.0  0.0  0.84  1.0
  Rh  Rh2  2  0.0  0.0  0.26  1.0

Hf Ge Rh
Hf Ge Rh 0 1 o o o 0 2 o o o 