data_BeV2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeV2Ru
_chemical_formula_sum   'Be1 V2 Ru1'
_cell_volume   49.2
_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  0.78  1.0
  V  V2  1  0.0  0.0  0.02  1.0
  V  V3  1  0.5  0.5  0.47  1.0
  Ru  Ru1  1  0.5  0.5  0.93  1.0

data_BeV2Ru
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   BeV2Ru
_chemical_formula_sum   'Be1 V2 Ru1'
_cell_volume   49.2
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  0.78  1.0
  V  V1  1  0.0  0.0  0.02  1.0
  V  V2  1  0.5  0.5  0.47  1.0
  Ru  Ru3  1  0.5  0.5  0.93  1.0

Be V V Ru
Be V V Ru 0 1 o o + 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 0 3 o o o 0 3 o - o 0 3 - o o 0 3 - - o 1 2 o o o 1 2 o - o 1 2 - o o 1 2 - - o 1 3 o o - 1 3 o - - 1 3 - o - 1 3 - - - 2 2 + o o 2 2 o + o 2 3 o o - 2 3 o o o 
BeV2Ru crystallizes in the tetragonal P4mm space group. Be(1) is bonded in a distorted single-bond geometry to one V(1), four equivalent V(2), and four equivalent Ru(1) atoms. The Be(1)-V(1) bond length is 1.29 Å. All Be(1)-V(2) bond lengths are 2.71 Å. All Be(1)-Ru(1) bond lengths are 2.28 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted single-bond geometry to one Be(1) and four equivalent Ru(1) atoms. All V(1)-Ru(1) bond lengths are 2.17 Å. In the second V site, V(2) is bonded in a 6-coordinate geometry to four equivalent Be(1) and two equivalent Ru(1) atoms. There is one shorter (2.52 Å) and one longer (2.95 Å) V(2)-Ru(1) bond length. Ru(1) is bonded in a 10-coordinate geometry to four equivalent Be(1), two equivalent V(2), and four equivalent V(1) atoms.