data_HfInRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   144.43
_cell_angle_beta   139.94
_cell_angle_gamma   54.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfInRu
_chemical_formula_sum   'Hf1 In1 Ru1'
_cell_volume   56.3
_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  0.18  1.0
  In  In1  1  0.0  0.0  0.1  1.0
  Ru  Ru2  1  0.0  0.0  0.2  1.0

data_HfInRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.65
_cell_length_c   5.33
_cell_angle_alpha   110.03
_cell_angle_beta   107.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfInRu
_chemical_formula_sum   'Hf1 In1 Ru1'
_cell_volume   56.3
_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  0.18  0.18  1.0
  In  In1  1  0.0  0.1  0.1  1.0
  Ru  Ru2  1  0.0  0.2  0.2  1.0

Hf In Ru
Hf In Ru 0 2 o o o 0 1 o o o 