data_Hf2InRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   136.11
_cell_angle_beta   136.11
_cell_angle_gamma   63.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2InRu
_chemical_formula_sum   'Hf2 In1 Ru1'
_cell_volume   77.28
_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  0.04  0.0  0.32  1.0
  Hf  Hf1  1  0.0  0.0  0.64  1.0
  In  In2  1  0.0  0.04  0.32  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Hf2InRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   5.46
_cell_angle_alpha   111.95
_cell_angle_beta   111.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2InRu
_chemical_formula_sum   'Hf2 In1 Ru1'
_cell_volume   77.28
_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  0.36  0.0  0.36  1.0
  Hf  Hf1  1  0.68  0.0  0.72  1.0
  In  In2  1  0.72  0.04  0.72  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

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