data_VSi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   7.3
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSi4
_chemical_formula_sum   'V4 Si16'
_cell_volume   299.52
_cell_formula_units_Z   4
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  V16  1  0.61  0.39  0.39  1.0
  V  V17  1  0.39  0.61  0.39  1.0
  V  V18  1  0.39  0.39  0.61  1.0
  V  V19  1  0.83  0.83  0.83  1.0
  Si  Si0  1  0.16  0.84  0.84  1.0
  Si  Si1  1  0.84  0.16  0.84  1.0
  Si  Si2  1  0.84  0.84  0.16  1.0
  Si  Si3  1  0.37  0.37  0.37  1.0
  Si  Si4  1  0.84  0.0  0.0  1.0
  Si  Si5  1  0.59  0.0  0.0  1.0
  Si  Si6  1  0.0  0.59  0.0  1.0
  Si  Si7  1  0.0  0.84  0.0  1.0
  Si  Si8  1  0.0  0.0  0.59  1.0
  Si  Si9  1  0.0  0.0  0.84  1.0
  Si  Si10  1  0.11  0.21  0.0  1.0
  Si  Si11  1  0.11  0.0  0.21  1.0
  Si  Si12  1  0.21  0.11  0.0  1.0
  Si  Si13  1  0.0  0.11  0.21  1.0
  Si  Si14  1  0.0  0.21  0.11  1.0
  Si  Si15  1  0.21  0.0  0.11  1.0

data_VSi4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   11.92
_cell_length_b   11.92
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VSi4
_chemical_formula_sum   'V12 Si48'
_cell_volume   898.57
_cell_formula_units_Z   12
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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  9  0.15  0.07  0.46  1.0
  V  V1  3  0.0  0.0  0.83  1.0
  Si  Si2  18  -0.0  0.11  0.11  1.0
  Si  Si3  9  0.05  0.1  0.95  1.0
  Si  Si4  9  0.06  0.53  0.53  1.0
  Si  Si5  9  0.21  0.11  0.95  1.0
  Si  Si6  3  0.0  0.0  0.37  1.0

V V V V Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si
V V V V Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si 0 7 o o o 1 7 o o o 2 7 o o o 3 8 o + + 3 13 + + o 3 11 + o + 4 19 o + + 4 16 o + + 4 13 o + o 4 11 o o + 5 13 + o o 5 8 o o + 5 14 + o + 5 18 + o + 6 8 o + o 6 15 + + o 6 17 + + o 6 11 + o o 8 18 + o o 8 17 + o o 8 9 o o o 10 11 o o o 11 19 o + o 11 15 o + o 12 13 o o o 13 16 o o + 13 14 o o + 14 18 o o o 14 16 o o o 15 17 o o o 15 19 o o o 16 19 o o o 17 18 o o o 