data_V17Sb12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82
_cell_length_b   8.82
_cell_length_c   8.82
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V17Sb12
_chemical_formula_sum   'V17 Sb12'
_cell_volume   527.75
_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  V12  1  0.59  0.75  0.41  1.0
  V  V13  1  0.41  0.75  0.59  1.0
  V  V14  1  0.41  0.43  0.41  1.0
  V  V15  1  0.68  0.34  0.68  1.0
  V  V16  1  0.75  0.59  0.41  1.0
  V  V17  1  0.75  0.41  0.59  1.0
  V  V18  1  0.34  0.68  0.68  1.0
  V  V19  1  0.43  0.41  0.41  1.0
  V  V20  1  0.68  0.68  0.34  1.0
  V  V21  1  0.41  0.41  0.43  1.0
  V  V22  1  0.59  0.41  0.75  1.0
  V  V23  1  0.41  0.59  0.75  1.0
  V  V24  1  0.3  0.3  0.7  1.0
  V  V25  1  0.7  0.3  0.3  1.0
  V  V26  1  0.79  0.79  0.79  1.0
  V  V27  1  0.3  0.7  0.3  1.0
  V  V28  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.03  0.19  0.97  1.0
  Sb  Sb1  1  0.97  0.19  0.03  1.0
  Sb  Sb2  1  0.06  0.9  0.06  1.0
  Sb  Sb3  1  0.03  0.99  0.03  1.0
  Sb  Sb4  1  0.19  0.03  0.97  1.0
  Sb  Sb5  1  0.19  0.97  0.03  1.0
  Sb  Sb6  1  0.99  0.03  0.03  1.0
  Sb  Sb7  1  0.9  0.06  0.06  1.0
  Sb  Sb8  1  0.03  0.03  0.99  1.0
  Sb  Sb9  1  0.06  0.06  0.9  1.0
  Sb  Sb10  1  0.03  0.97  0.19  1.0
  Sb  Sb11  1  0.97  0.03  0.19  1.0

data_V17Sb12
_symmetry_space_group_name_H-M   R3m
_cell_length_a   14.4
_cell_length_b   14.4
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   V17Sb12
_chemical_formula_sum   'V51 Sb36'
_cell_volume   1583.26
_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+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  18  0.0  0.17  0.58  1.0
  V  V1  9  0.01  0.01  0.42  1.0
  V  V2  9  0.11  0.56  0.23  1.0
  V  V3  9  0.2  0.4  0.1  1.0
  V  V4  3  0.0  0.0  -0.0  1.0
  V  V5  3  0.0  0.0  0.79  1.0
  Sb  Sb6  18  0.13  0.03  0.06  1.0
  Sb  Sb7  9  0.01  0.03  0.02  1.0
  Sb  Sb8  9  0.05  0.1  0.01  1.0

V V V V V V V V V V V V V V V V V Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb