data_BeVNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   3.82
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVNi
_chemical_formula_sum   'Be1 V1 Ni1'
_cell_volume   39.41
_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
  V  V2  1  0.35  0.35  0.35  1.0
  Ni  Ni1  1  0.7  0.7  0.7  1.0

data_BeVNi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   9.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BeVNi
_chemical_formula_sum   'Be3 V3 Ni3'
_cell_volume   118.23
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  V  V1  3  0.0  0.0  0.65  1.0
  Ni  Ni2  3  0.0  0.0  0.3  1.0

Be V Ni
Be V Ni 0 2 - - o 0 2 - o - 0 2 o - - 0 1 - o o 0 1 o - o 0 1 o o - 1 2 - o o 1 2 o - o 1 2 o o - 
BeVNi crystallizes in the trigonal R3m space group. Be(1) is bonded to three equivalent V(1) and four equivalent Ni(1) atoms to form BeV3Ni4 hexagonal pyramids that share corners with six equivalent Ni(1)Be4V4 hexagonal bipyramids, corners with six equivalent Be(1)V3Ni4 hexagonal pyramids, edges with three equivalent Ni(1)Be4V4 hexagonal bipyramids, and edges with six equivalent Be(1)V3Ni4 hexagonal pyramids. All Be(1)-V(1) bond lengths are 2.21 Å. There are three shorter (2.23 Å) and one longer (2.80 Å) Be(1)-Ni(1) bond length. V(1) is bonded in a 6-coordinate geometry to three equivalent Be(1) and four equivalent Ni(1) atoms. There are three shorter (2.21 Å) and one longer (3.28 Å) V(1)-Ni(1) bond length. Ni(1) is bonded to four equivalent Be(1) and four equivalent V(1) atoms to form distorted NiBe4V4 hexagonal bipyramids that share corners with six equivalent Be(1)V3Ni4 hexagonal pyramids, edges with twelve equivalent Ni(1)Be4V4 hexagonal bipyramids, and edges with three equivalent Be(1)V3Ni4 hexagonal pyramids.