data_BeNi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87
_cell_length_b   7.87
_cell_length_c   7.87
_cell_angle_alpha   18.96
_cell_angle_beta   18.96
_cell_angle_gamma   18.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNi2Ru
_chemical_formula_sum   'Be1 Ni2 Ru1'
_cell_volume   44.88
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.94  1.0
  Ni  Ni2  1  0.0  0.0  0.23  1.0
  Ru  Ru3  1  0.0  0.0  0.58  1.0

data_BeNi2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   2.59
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   100.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeNi2Ru
_chemical_formula_sum   'Be2 Ni4 Ru2'
_cell_volume   89.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Be  Be0  2  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.0  0.0  0.06  1.0
  Ni  Ni2  2  0.0  0.0  0.77  1.0
  Ru  Ru3  2  0.0  0.0  0.42  1.0

Be Ni Ni Ru
Be Ni Ni Ru 0 1 o o - 0 2 o o o 1 3 o o o 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
BeRuNi2 crystallizes in the monoclinic Cm space group. Be(1) is bonded in a single-bond geometry to one Ni(1) and one Ni(2) atom. The Be(1)-Ni(1) bond length is 0.47 Å. The Be(1)-Ni(2) bond length is 1.78 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to six Ru(1,1); one Ni(1); and one Ni(2) atom to form a mixture of distorted edge and corner-sharing RuNi2Ru6 hexagonal bipyramids. All Ru(1)-Ru(1,1) bond lengths are 2.59 Å. The Ru(1)-Ni(1) bond length is 2.81 Å. The Ru(1)-Ni(2) bond length is 2.81 Å. In the second Ru site, Ru(1) is bonded to six Ru(1,1); one Ni(1); and one Ni(2) atom to form a mixture of distorted edge and corner-sharing RuNi2Ru6 hexagonal bipyramids. Both Ru(1)-Ru(1) bond lengths are 2.59 Å. The Ru(1)-Ni(1) bond length is 2.81 Å. The Ru(1)-Ni(2) bond length is 2.81 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to one Be(1) and one Ru(1) atom. In the second Ni site, Ni(2) is bonded in a distorted single-bond geometry to one Be(1) and one Ru(1) atom.