data_AlV5Si2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   154.71
_cell_angle_beta   109.06
_cell_angle_gamma   76.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV5Si2
_chemical_formula_sum   'Al1 V5 Si2'
_cell_volume   111.97
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.8  0.0  1.0
  V  V4  1  0.0  0.64  0.85  1.0
  V  V5  1  0.43  0.16  0.28  1.0
  V  V6  1  0.43  0.16  0.72  1.0
  V  V7  1  0.0  0.64  0.42  1.0
  Si  Si1  1  0.43  0.0  0.54  1.0
  Si  Si2  1  0.0  0.8  0.6  1.0

data_AlV5Si2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   70.94
_cell_angle_beta   77.36
_cell_angle_gamma   77.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV5Si2
_chemical_formula_sum   'Al1 V5 Si2'
_cell_volume   111.97
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  V  V1  1  -0.0  0.0  0.8  1.0
  V  V2  1  0.28  0.43  0.44  1.0
  V  V3  1  0.42  -0.0  0.22  1.0
  V  V4  1  0.85  0.43  0.87  1.0
  V  V5  1  0.85  0.0  0.79  1.0
  Si  Si6  1  0.1  0.43  0.46  1.0
  Si  Si7  1  0.6  0.0  0.2  1.0

Al V V V V V Si Si
Al V V V V V Si Si 0 7 o - - 0 2 o - - 0 1 o - o 0 3 o o o 1 2 o o - 1 3 o + o 2 3 o + + 3 5 o - - 3 5 o o o 3 7 o - - 3 3 o + + 3 6 o o o 3 4 o o o 4 6 o o o 5 7 o o o 