data_AlVSi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07
_cell_length_b   3.4
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVSi4
_chemical_formula_sum   'Al2 V2 Si8'
_cell_volume   177.54
_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  0.02  0.0  0.71  1.0
  Al  Al1  1  0.06  0.0  0.76  1.0
  V  V10  1  0.02  0.0  0.19  1.0
  V  V11  1  0.06  0.0  0.28  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.04  0.0  0.0  1.0
  Si  Si4  1  0.02  0.7  0.73  1.0
  Si  Si5  1  0.06  0.7  0.74  1.0
  Si  Si6  1  0.35  0.7  0.07  1.0
  Si  Si7  1  0.68  0.7  0.07  1.0
  Si  Si8  1  0.72  0.7  0.4  1.0
  Si  Si9  1  0.39  0.7  0.4  1.0

data_AlVSi4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   6.47
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVSi4
_chemical_formula_sum   'Al2 V2 Si8'
_cell_volume   177.54
_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  0.71  0.02  1.0
  Al  Al1  1  0.0  0.76  0.06  1.0
  V  V2  1  0.0  0.19  0.02  1.0
  V  V3  1  0.0  0.28  0.06  1.0
  Si  Si4  1  0.0  0.0  0.0  1.0
  Si  Si5  1  0.0  0.0  0.04  1.0
  Si  Si6  1  0.7  0.07  0.35  1.0
  Si  Si7  1  0.7  0.07  0.68  1.0
  Si  Si8  1  0.7  0.4  0.39  1.0
  Si  Si9  1  0.7  0.4  0.72  1.0
  Si  Si10  1  0.7  0.73  0.02  1.0
  Si  Si11  1  0.7  0.74  0.06  1.0

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