data_V16Si6Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27
_cell_length_b   8.27
_cell_length_c   8.27
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V16Si6Ni7
_chemical_formula_sum   'V16 Si6 Ni7'
_cell_volume   399.27
_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  V13  1  0.24  0.29  0.29  1.0
  V  V14  1  0.24  0.24  0.24  1.0
  V  V15  1  0.29  0.29  0.24  1.0
  V  V16  1  0.29  0.24  0.29  1.0
  V  V17  1  0.45  0.45  0.45  1.0
  V  V18  1  0.45  0.4  0.4  1.0
  V  V19  1  0.4  0.4  0.45  1.0
  V  V20  1  0.4  0.45  0.4  1.0
  V  V21  1  0.74  0.95  0.95  1.0
  V  V22  1  0.74  0.74  0.74  1.0
  V  V23  1  0.95  0.95  0.74  1.0
  V  V24  1  0.95  0.74  0.95  1.0
  V  V25  1  0.95  0.95  0.95  1.0
  V  V26  1  0.95  0.74  0.74  1.0
  V  V27  1  0.74  0.74  0.95  1.0
  V  V28  1  0.74  0.95  0.74  1.0
  Si  Si7  1  0.84  0.84  0.08  1.0
  Si  Si8  1  0.84  0.84  0.61  1.0
  Si  Si9  1  0.84  0.08  0.84  1.0
  Si  Si10  1  0.84  0.61  0.84  1.0
  Si  Si11  1  0.61  0.84  0.84  1.0
  Si  Si12  1  0.08  0.84  0.84  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.92  0.92  0.84  1.0
  Ni  Ni2  1  0.92  0.92  0.0  1.0
  Ni  Ni3  1  0.92  0.84  0.92  1.0
  Ni  Ni4  1  0.92  0.0  0.92  1.0
  Ni  Ni5  1  0.0  0.92  0.92  1.0
  Ni  Ni6  1  0.84  0.92  0.92  1.0

data_V16Si6Ni7
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.27
_cell_length_b   8.27
_cell_length_c   20.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   V16Si6Ni7
_chemical_formula_sum   'V48 Si18 Ni21'
_cell_volume   1197.8
_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  9  0.02  0.03  0.59  1.0
  V  V1  9  0.03  0.02  0.73  1.0
  V  V2  9  0.07  0.15  0.19  1.0
  V  V3  9  0.15  0.07  0.12  1.0
  V  V4  3  0.0  0.0  0.05  1.0
  V  V5  3  0.0  0.0  0.26  1.0
  V  V6  3  0.0  0.0  0.55  1.0
  V  V7  3  0.0  0.0  0.76  1.0
  Si  Si8  9  0.08  0.16  0.08  1.0
  Si  Si9  9  0.16  0.08  0.23  1.0
  Ni  Ni10  9  0.03  0.05  0.05  1.0
  Ni  Ni11  9  0.05  0.03  0.1  1.0
  Ni  Ni12  3  0.0  0.0  0.0  1.0

V V V V V V V V V V V V V V V V Si Si Si Si Si Si Ni Ni Ni Ni Ni Ni Ni
V V V V V V V V V V V V V V V V Si Si Si Si Si Si Ni Ni Ni Ni Ni Ni Ni 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 4 6 o o o 4 5 o o o 4 7 o o o 5 7 o o o 5 6 o o o 6 7 o o o 8 28 o o o 9 20 o o o 9 19 o o o 9 17 o o o 10 23 o o o 11 25 o o o 12 24 o o + 12 26 o + o 12 27 + o o 12 22 + + + 13 19 o o o 13 17 o o o 14 20 o o o 14 19 o o o 15 20 o o o 15 17 o o o 16 28 o o - 16 25 o o - 16 24 o o o 18 28 o - o 18 23 o - o 18 26 o o o 21 25 - o o 21 23 - o o 21 27 o o o 22 27 o - - 22 24 - - o 22 26 - o - 23 25 o o o 23 28 o o o 25 28 o o o 