data_HfAlRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.04
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAlRu2
_chemical_formula_sum   'Hf1 Al1 Ru2'
_cell_volume   63.39
_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  0.48  0.02  0.06  1.0
  Al  Al0  1  0.0  0.0  0.47  1.0
  Ru  Ru2  1  0.0  0.0  0.22  1.0
  Ru  Ru3  1  0.48  0.02  0.46  1.0

data_HfAlRu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.04
_cell_length_b   2.97
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfAlRu2
_chemical_formula_sum   'Hf1 Al1 Ru2'
_cell_volume   63.39
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.5  0.06  1.0
  Al  Al1  1  0.0  0.0  0.47  1.0
  Ru  Ru2  1  0.0  0.0  0.22  1.0
  Ru  Ru3  1  0.02  0.5  0.46  1.0

Hf Al Ru Ru