data_LaHf2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   5.26
_cell_angle_alpha   114.02
_cell_angle_beta   114.02
_cell_angle_gamma   31.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHf2Ru
_chemical_formula_sum   'La1 Hf2 Ru1'
_cell_volume   92.06
_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
  La  La2  1  0.76  0.0  0.38  1.0
  Hf  Hf0  1  0.69  0.0  0.82  1.0
  Hf  Hf1  1  0.82  0.0  0.95  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_LaHf2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.26
_cell_length_c   6.09
_cell_angle_alpha   114.02
_cell_angle_beta   105.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHf2Ru
_chemical_formula_sum   'La1 Hf2 Ru1'
_cell_volume   92.06
_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
  La  La0  1  0.0  0.38  0.76  1.0
  Hf  Hf1  1  0.0  0.82  0.69  1.0
  Hf  Hf2  1  0.0  0.95  0.82  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

La Hf Hf Ru