data_HfMnRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   146.64
_cell_angle_beta   128.27
_cell_angle_gamma   62.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnRu2
_chemical_formula_sum   'Hf1 Mn1 Ru2'
_cell_volume   59.6
_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  0.42  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.26  0.43  1.0
  Ru  Ru3  1  0.49  0.0  0.99  1.0

data_HfMnRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.53
_cell_length_c   5.19
_cell_angle_alpha   115.87
_cell_angle_beta   106.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnRu2
_chemical_formula_sum   'Hf1 Mn1 Ru2'
_cell_volume   59.6
_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  0.42  0.42  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.99  0.5  1.0
  Ru  Ru3  1  0.74  0.17  0.17  1.0

Hf Mn Ru Ru
HfMnRu2 crystallizes in the triclinic P1 space group. Hf(1) is bonded in a distorted single-bond geometry to one Ru(1) and two equivalent Ru(2) atoms. The Hf(1)-Ru(1) bond length is 1.31 Å. There is one shorter (2.17 Å) and one longer (2.41 Å) Hf(1)-Ru(2) bond length. Mn(1) is bonded in a 1-coordinate geometry to one Ru(2) and two equivalent Ru(1) atoms. The Mn(1)-Ru(2) bond length is 2.57 Å. There is one shorter (1.35 Å) and one longer (2.12 Å) Mn(1)-Ru(1) bond length. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 3-coordinate geometry to one Hf(1) and two equivalent Mn(1) atoms. In the second Ru site, Ru(2) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and one Mn(1) atom.