data_HfScRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   4.4
_cell_angle_alpha   112.27
_cell_angle_beta   112.27
_cell_angle_gamma   34.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScRu2
_chemical_formula_sum   'Hf1 Sc1 Ru2'
_cell_volume   68.36
_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  0.3  0.0  0.93  1.0
  Sc  Sc3  1  0.39  0.0  0.09  1.0
  Ru  Ru1  1  0.4  0.0  0.04  1.0
  Ru  Ru2  1  0.36  0.0  0.0  1.0

data_HfScRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.4
_cell_length_c   5.46
_cell_angle_alpha   112.27
_cell_angle_beta   107.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScRu2
_chemical_formula_sum   'Hf1 Sc1 Ru2'
_cell_volume   68.36
_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  0.93  0.3  1.0
  Sc  Sc1  1  0.0  0.09  0.39  1.0
  Ru  Ru2  1  0.0  0.0  0.36  1.0
  Ru  Ru3  1  0.0  0.04  0.4  1.0

Hf Sc Ru Ru