data_AlV2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99
_cell_length_b   8.99
_cell_length_c   8.99
_cell_angle_alpha   32.07
_cell_angle_beta   32.07
_cell_angle_gamma   32.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Si
_chemical_formula_sum   'Al3 V6 Si3'
_cell_volume   181.74
_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  0.0  0.25  1.0
  Al  Al1  1  0.0  0.0  0.3  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  V  V6  1  0.22  0.3  0.04  1.0
  V  V7  1  0.78  0.3  0.04  1.0
  V  V8  1  0.0  0.41  0.04  1.0
  V  V9  1  0.78  0.7  0.51  1.0
  V  V10  1  0.0  0.59  0.51  1.0
  V  V11  1  0.22  0.7  0.51  1.0
  Si  Si3  1  0.0  0.0  0.22  1.0
  Si  Si4  1  0.0  0.0  0.33  1.0
  Si  Si5  1  0.0  0.0  0.77  1.0

data_AlV2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   8.99
_cell_angle_alpha   73.97
_cell_angle_beta   73.97
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Si
_chemical_formula_sum   'Al3 V6 Si3'
_cell_volume   181.74
_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  0.0  0.0  1.0
  Al  Al1  1  0.0  0.7  0.3  1.0
  Al  Al2  1  0.0  0.75  0.25  1.0
  V  V3  1  0.3  0.49  0.43  1.0
  V  V4  1  0.3  0.49  1.0  1.0
  V  V5  1  0.41  0.49  0.11  1.0
  V  V6  1  0.59  0.96  0.44  1.0
  V  V7  1  0.7  0.96  0.12  1.0
  V  V8  1  0.7  0.96  0.55  1.0
  Si  Si9  1  0.0  0.23  0.77  1.0
  Si  Si10  1  0.0  0.67  0.33  1.0
  Si  Si11  1  0.0  0.78  0.22  1.0

Al Al Al V V V V V V Si Si Si