data_VCuSi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuSi4
_chemical_formula_sum   'V1 Cu1 Si4'
_cell_volume   79.75
_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
  Cu  Cu0  1  0.71  0.71  0.71  1.0
  Si  Si1  1  0.56  0.56  0.28  1.0
  Si  Si2  1  0.56  0.28  0.56  1.0
  Si  Si3  1  0.28  0.56  0.56  1.0
  Si  Si4  1  0.28  0.28  0.28  1.0

data_VCuSi4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   11.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VCuSi4
_chemical_formula_sum   'V3 Cu3 Si12'
_cell_volume   239.25
_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
  Si  Si1  9  0.19  0.09  0.54  1.0
  Cu  Cu2  3  0.0  0.0  0.29  1.0
  Si  Si3  3  0.0  0.0  0.72  1.0

V Cu Si Si Si Si
VCuSi4 crystallizes in the trigonal R3m space group. V(1) is bonded in a 16-coordinate geometry to three equivalent Cu(1), four equivalent Si(2), and nine equivalent Si(1) atoms. All V(1)-Cu(1) bond lengths are 2.83 Å. There are three shorter (2.87 Å) and one longer (3.26 Å) V(1)-Si(2) bond length. There are six shorter (2.93 Å) and three longer (3.13 Å) V(1)-Si(1) bond lengths. Cu(1) is bonded in a 6-coordinate geometry to three equivalent V(1) and three equivalent Si(1) atoms. All Cu(1)-Si(1) bond lengths are 2.26 Å. There are two inequivalent Si sites. In the first Si site, Si(2) is bonded in a 7-coordinate geometry to four equivalent V(1) and three equivalent Si(1) atoms. All Si(2)-Si(1) bond lengths are 2.36 Å. In the second Si site, Si(1) is bonded in a 2-coordinate geometry to three equivalent V(1), one Cu(1), one Si(2), and two equivalent Si(1) atoms. Both Si(1)-Si(1) bond lengths are 1.36 Å.