data_LaHfRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   146.35
_cell_angle_beta   133.03
_cell_angle_gamma   59.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfRu2
_chemical_formula_sum   'La1 Hf1 Ru2'
_cell_volume   78.8
_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  La1  1  0.0  0.0  0.6  1.0
  Hf  Hf0  1  0.68  0.0  0.86  1.0
  Ru  Ru2  1  0.68  0.0  0.06  1.0
  Ru  Ru3  1  0.0  0.0  0.64  1.0

data_LaHfRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.63
_cell_length_c   5.81
_cell_angle_alpha   113.49
_cell_angle_beta   106.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfRu2
_chemical_formula_sum   'La1 Hf1 Ru2'
_cell_volume   78.8
_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  0.6  0.6  1.0
  Hf  Hf1  1  0.0  0.86  0.18  1.0
  Ru  Ru2  1  0.0  0.06  0.38  1.0
  Ru  Ru3  1  0.0  0.64  0.64  1.0

La Hf Ru Ru