data_HfSc2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   146.14
_cell_angle_beta   131.26
_cell_angle_gamma   60.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc2Rh
_chemical_formula_sum   'Hf1 Sc2 Rh1'
_cell_volume   79.67
_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  0.98  1.0
  Sc  Sc2  1  0.68  0.0  0.13  1.0
  Sc  Sc3  1  0.0  0.38  0.85  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0

data_HfSc2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.76
_cell_length_c   5.77
_cell_angle_alpha   114.37
_cell_angle_beta   106.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc2Rh
_chemical_formula_sum   'Hf1 Sc2 Rh1'
_cell_volume   79.67
_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  0.02  0.02  0.02  1.0
  Sc  Sc1  1  0.15  0.54  0.54  1.0
  Sc  Sc2  1  0.55  0.87  0.55  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Hf Sc Sc Rh