data_VSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   15.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSi3
_chemical_formula_sum   'V6 Si18'
_cell_volume   331.52
_cell_formula_units_Z   6
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  V18  1  0.0  0.0  0.8  1.0
  V  V19  1  0.0  0.0  0.41  1.0
  V  V20  1  0.51  0.45  0.42  1.0
  V  V21  1  0.51  0.45  0.41  1.0
  V  V22  1  0.0  0.9  0.81  1.0
  V  V23  1  0.0  0.9  0.8  1.0
  Si  Si0  1  0.51  0.04  0.8  1.0
  Si  Si1  1  0.72  0.15  0.8  1.0
  Si  Si2  1  0.29  0.15  0.8  1.0
  Si  Si3  1  0.0  0.3  0.41  1.0
  Si  Si4  1  0.78  0.19  0.41  1.0
  Si  Si5  1  0.22  0.19  0.41  1.0
  Si  Si6  1  0.51  0.87  0.49  1.0
  Si  Si7  1  0.28  0.74  0.49  1.0
  Si  Si8  1  0.74  0.74  0.49  1.0
  Si  Si9  1  0.51  0.87  0.12  1.0
  Si  Si10  1  0.28  0.74  0.12  1.0
  Si  Si11  1  0.74  0.74  0.12  1.0
  Si  Si12  1  0.0  0.47  0.73  1.0
  Si  Si13  1  0.23  0.61  0.73  1.0
  Si  Si14  1  0.77  0.61  0.73  1.0
  Si  Si15  1  0.0  0.47  0.1  1.0
  Si  Si16  1  0.23  0.61  0.1  1.0
  Si  Si17  1  0.77  0.61  0.1  1.0

data_VSi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   15.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSi3
_chemical_formula_sum   'V6 Si18'
_cell_volume   331.52
_cell_formula_units_Z   6
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  V0  1  0.0  0.0  0.41  1.0
  V  V1  1  0.0  0.0  0.8  1.0
  V  V2  1  0.0  0.9  0.8  1.0
  V  V3  1  0.0  0.9  0.81  1.0
  V  V4  1  0.51  0.45  0.41  1.0
  V  V5  1  0.51  0.45  0.42  1.0
  Si  Si6  1  0.0  0.3  0.41  1.0
  Si  Si7  1  0.0  0.47  0.1  1.0
  Si  Si8  1  0.0  0.47  0.73  1.0
  Si  Si9  1  0.22  0.19  0.41  1.0
  Si  Si10  1  0.23  0.61  0.1  1.0
  Si  Si11  1  0.23  0.61  0.73  1.0
  Si  Si12  1  0.28  0.74  0.12  1.0
  Si  Si13  1  0.28  0.74  0.49  1.0
  Si  Si14  1  0.29  0.15  0.8  1.0
  Si  Si15  1  0.51  0.04  0.8  1.0
  Si  Si16  1  0.51  0.87  0.12  1.0
  Si  Si17  1  0.51  0.87  0.49  1.0
  Si  Si18  1  0.72  0.15  0.8  1.0
  Si  Si19  1  0.74  0.74  0.12  1.0
  Si  Si20  1  0.74  0.74  0.49  1.0
  Si  Si21  1  0.77  0.61  0.1  1.0
  Si  Si22  1  0.77  0.61  0.73  1.0
  Si  Si23  1  0.78  0.19  0.41  1.0

V V V V V V Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si
V V V V V V Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si 0 5 o - o 0 4 o - o 0 8 o o o 1 11 o o o 1 14 - - o 2 3 o o o 2 14 o o o 3 14 o o o 4 5 o o o 4 8 o + o 4 20 - o o 5 8 o + o 5 20 - o o 6 7 o o o 6 8 o o o 9 10 - o o 12 13 o o o 12 14 o o o 15 16 o o o 16 22 o o o 17 23 o o o 18 19 o o o 18 20 - o o 21 22 o o o 