data_HfMg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   4.78
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   105.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Ru
_chemical_formula_sum   'Hf1 Mg2 Ru1'
_cell_volume   73.77
_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  0.82  0.0  0.55  1.0
  Mg  Mg1  1  0.47  0.39  0.93  1.0
  Mg  Mg2  1  0.18  0.39  0.17  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_HfMg2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.78
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   105.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg2Ru
_chemical_formula_sum   'Hf1 Mg2 Ru1'
_cell_volume   73.77
_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  0.82  0.0  0.55  1.0
  Mg  Mg1  1  0.18  0.39  0.17  1.0
  Mg  Mg2  1  0.47  0.39  0.93  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Hf Mg Mg Ru