data_AlV2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   3.92
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Si
_chemical_formula_sum   'Al2 V4 Si2'
_cell_volume   112.31
_cell_formula_units_Z   2
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  0.23  0.0  0.44  1.0
  Al  Al1  1  0.69  0.0  0.39  1.0
  V  V4  1  0.0  0.0  0.0  1.0
  V  V5  1  0.46  0.0  0.0  1.0
  V  V6  1  0.23  0.96  0.14  1.0
  V  V7  1  0.69  0.96  0.69  1.0
  Si  Si2  1  0.23  0.96  0.97  1.0
  Si  Si3  1  0.69  0.96  0.85  1.0

data_AlV2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.92
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Si
_chemical_formula_sum   'Al2 V4 Si2'
_cell_volume   112.31
_cell_formula_units_Z   2
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  0.31  0.61  1.0
  Al  Al1  1  0.0  0.77  0.56  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.54  -0.0  1.0
  V  V4  1  0.04  0.31  0.31  1.0
  V  V5  1  0.04  0.77  0.86  1.0
  Si  Si6  1  0.04  0.31  0.15  1.0
  Si  Si7  1  0.04  0.77  0.03  1.0

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