data_BeV4Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeV4Co
_chemical_formula_sum   'Be1 V4 Co1'
_cell_volume   76.41
_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  0.52  0.52  0.22  1.0
  V  V3  1  0.52  0.22  0.52  1.0
  V  V4  1  0.22  0.52  0.52  1.0
  V  V5  1  0.22  0.22  0.22  1.0
  Co  Co1  1  0.68  0.68  0.68  1.0

data_BeV4Co
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   11.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BeV4Co
_chemical_formula_sum   'Be3 V12 Co3'
_cell_volume   229.24
_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  9  0.2  0.1  0.58  1.0
  V  V2  3  0.0  0.0  0.78  1.0
  Co  Co3  3  0.0  0.0  0.32  1.0

Be V V V V Co
BeV4Co crystallizes in the trigonal R3m space group. Be(1) is bonded in a 13-coordinate geometry to four equivalent V(2), six equivalent V(1), and three equivalent Co(1) atoms. There is one shorter (2.53 Å) and three longer (3.07 Å) Be(1)-V(2) bond lengths. All Be(1)-V(1) bond lengths are 2.64 Å. All Be(1)-Co(1) bond lengths are 2.76 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 3-coordinate geometry to two equivalent Be(1), two equivalent V(1), three equivalent V(2), and one Co(1) atom. Both V(1)-V(1) bond lengths are 1.44 Å. There is one shorter (2.50 Å) and two longer (2.88 Å) V(1)-V(2) bond lengths. The V(1)-Co(1) bond length is 2.07 Å. In the second V site, V(2) is bonded in a 16-coordinate geometry to four equivalent Be(1), nine equivalent V(1), and three equivalent Co(1) atoms. All V(2)-Co(1) bond lengths are 3.16 Å. Co(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Be(1), three equivalent V(1), and three equivalent V(2) atoms.