data_Y2HfRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   146.82
_cell_angle_beta   131.97
_cell_angle_gamma   59.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HfRu
_chemical_formula_sum   'Y2 Hf1 Ru1'
_cell_volume   92.62
_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
  Y  Y2  1  0.75  0.0  0.19  1.0
  Y  Y3  1  0.0  0.49  0.13  1.0
  Hf  Hf0  1  0.0  0.0  0.31  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_Y2HfRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.98
_cell_length_c   6.12
_cell_angle_alpha   114.02
_cell_angle_beta   106.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HfRu
_chemical_formula_sum   'Y2 Hf1 Ru1'
_cell_volume   92.62
_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
  Y  Y0  1  0.0  0.19  0.44  1.0
  Y  Y1  1  0.51  0.63  0.63  1.0
  Hf  Hf2  1  0.0  0.31  0.31  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Y Y Hf Ru