data_AlVSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVSi3
_chemical_formula_sum   'Al3 V3 Si9'
_cell_volume   220.8
_cell_formula_units_Z   3
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
  Al  Al0  1  0.0  0.02  0.02  1.0
  Al  Al1  1  0.02  0.0  0.02  1.0
  Al  Al2  1  0.02  0.02  0.0  1.0
  V  V12  1  0.02  0.0  0.0  1.0
  V  V13  1  0.0  0.02  0.0  1.0
  V  V14  1  0.0  0.0  0.02  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Si  Si4  1  0.56  0.56  0.56  1.0
  Si  Si5  1  0.48  0.48  0.56  1.0
  Si  Si6  1  0.48  0.56  0.48  1.0
  Si  Si7  1  0.56  0.48  0.48  1.0
  Si  Si8  1  0.56  0.56  0.48  1.0
  Si  Si9  1  0.48  0.48  0.48  1.0
  Si  Si10  1  0.56  0.48  0.56  1.0
  Si  Si11  1  0.48  0.56  0.56  1.0

data_AlVSi3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.55
_cell_length_b   8.55
_cell_length_c   10.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlVSi3
_chemical_formula_sum   'Al9 V9 Si27'
_cell_volume   662.4
_cell_formula_units_Z   9
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
  Al  Al0  9  0.01  0.01  0.01  1.0
  V  V1  9  0.01  0.01  0.01  1.0
  Si  Si2  9  0.03  0.05  0.54  1.0
  Si  Si3  9  0.05  0.03  0.51  1.0
  Si  Si4  3  0.0  0.0  0.0  1.0
  Si  Si5  3  0.0  0.0  0.48  1.0
  Si  Si6  3  0.0  0.0  0.56  1.0

Al Al Al V V V Si Si Si Si Si Si Si Si Si
Al Al Al V V V Si Si Si Si Si Si Si Si Si 0 5 o o o 0 4 o o o 1 5 o o o 1 3 o o o 2 4 o o o 2 3 o o o 3 6 o o o 4 6 o o o 5 6 o o o 7 14 o o o 7 13 o o o 7 11 o o o 8 12 o o o 8 14 o o o 8 13 o o o 9 12 o o o 9 14 o o o 9 11 o o o 10 12 o o o 10 13 o o o 10 11 o o o 