data_HfCoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   2.82
_cell_angle_alpha   103.34
_cell_angle_beta   103.34
_cell_angle_gamma   116.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoRu2
_chemical_formula_sum   'Hf1 Co1 Ru2'
_cell_volume   59.95
_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  0.7  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.73  0.8  0.26  1.0
  Ru  Ru3  1  0.73  0.2  0.26  1.0

data_HfCoRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.86
_cell_length_c   5.16
_cell_angle_alpha   116.52
_cell_angle_beta   103.34
_cell_angle_gamma   95.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoRu2
_chemical_formula_sum   'Hf1 Co1 Ru2'
_cell_volume   59.95
_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  0.7  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.07  0.8  0.53  1.0
  Ru  Ru3  1  0.46  0.2  0.92  1.0

Hf Co Ru Ru