data_HfRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   132.19
_cell_angle_beta   130.81
_cell_angle_gamma   71.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRh3
_chemical_formula_sum   'Hf1 Rh3'
_cell_volume   61.93
_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  0.93  1.0
  Rh  Rh1  1  0.96  0.0  0.98  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.01  0.95  1.0

data_HfRh3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.02
_cell_length_c   4.83
_cell_angle_alpha   114.6
_cell_angle_beta   113.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRh3
_chemical_formula_sum   'Hf1 Rh3'
_cell_volume   61.93
_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  0.07  0.07  0.07  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.05  0.06  0.06  1.0
  Rh  Rh3  1  0.98  0.02  0.98  1.0

Hf Rh Rh Rh