data_HfMgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   4.43
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   105.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgRu2
_chemical_formula_sum   'Hf1 Mg1 Ru2'
_cell_volume   65.98
_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  0.12  0.22  0.48  1.0
  Mg  Mg1  1  0.5  0.0  0.96  1.0
  Ru  Ru2  1  0.47  0.22  0.11  1.0
  Ru  Ru3  1  0.07  0.0  0.29  1.0

data_HfMgRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.43
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   105.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgRu2
_chemical_formula_sum   'Hf1 Mg1 Ru2'
_cell_volume   65.98
_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  0.12  0.22  0.48  1.0
  Mg  Mg1  1  0.5  0.0  0.96  1.0
  Ru  Ru2  1  0.07  0.0  0.29  1.0
  Ru  Ru3  1  0.47  0.22  0.11  1.0

Hf Mg Ru Ru
Hf Mg Ru Ru 0 3 o o o 1 2 o o + 