data_HfCu2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.17
_cell_angle_alpha   114.12
_cell_angle_beta   114.12
_cell_angle_gamma   42.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCu2Ru
_chemical_formula_sum   'Hf1 Cu2 Ru1'
_cell_volume   58.52
_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  Hf2  1  0.57  0.0  0.86  1.0
  Cu  Cu0  1  0.05  0.0  0.68  1.0
  Cu  Cu1  1  0.91  0.0  0.89  1.0
  Ru  Ru3  1  0.21  0.0  0.93  1.0

data_HfCu2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.17
_cell_length_c   4.79
_cell_angle_alpha   114.12
_cell_angle_beta   111.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCu2Ru
_chemical_formula_sum   'Hf1 Cu2 Ru1'
_cell_volume   58.52
_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  0.86  0.57  1.0
  Cu  Cu1  1  0.0  0.68  0.05  1.0
  Cu  Cu2  1  0.0  0.89  0.91  1.0
  Ru  Ru3  1  0.0  0.93  0.21  1.0

Hf Cu Cu Ru