data_VReTc4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VReTc4
_chemical_formula_sum   'V1 Re1 Tc4'
_cell_volume   90.95
_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
  V  V5  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.78  0.78  0.78  1.0
  Tc  Tc1  1  0.67  0.67  0.47  1.0
  Tc  Tc2  1  0.67  0.47  0.67  1.0
  Tc  Tc3  1  0.47  0.67  0.67  1.0
  Tc  Tc4  1  0.47  0.47  0.47  1.0

data_VReTc4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   12.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VReTc4
_chemical_formula_sum   'V3 Re3 Tc12'
_cell_volume   272.85
_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
  V  V0  3  0.0  0.0  0.0  1.0
  Tc  Tc1  9  0.13  0.07  0.4  1.0
  Re  Re2  3  0.0  0.0  0.22  1.0
  Tc  Tc3  3  0.0  0.0  0.53  1.0

V Re Tc Tc Tc Tc
V Re Tc Tc Tc Tc 0 1 - - - 0 2 - - o 0 3 - o - 0 4 o - - 1 4 o o o 1 3 o o o 1 2 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
VReTc4 crystallizes in the trigonal R3m space group. V(1) is bonded in a 4-coordinate geometry to one Re(1), three equivalent Tc(1), and three equivalent Tc(2) atoms. The V(1)-Re(1) bond length is 2.66 Å. All V(1)-Tc(1) bond lengths are 2.46 Å. All V(1)-Tc(2) bond lengths are 3.36 Å. Re(1) is bonded in a distorted single-bond geometry to one V(1) and three equivalent Tc(2) atoms. All Re(1)-Tc(2) bond lengths are 2.92 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(2) is bonded in a 9-coordinate geometry to three equivalent V(1), three equivalent Re(1), and three equivalent Tc(1) atoms. All Tc(2)-Tc(1) bond lengths are 1.75 Å. In the second Tc site, Tc(1) is bonded in a 3-coordinate geometry to one V(1), one Tc(2), and two equivalent Tc(1) atoms. Both Tc(1)-Tc(1) bond lengths are 1.01 Å.