data_AlV6Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   9.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV6Si
_chemical_formula_sum   'Al1 V6 Si1'
_cell_volume   120.36
_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  V2  1  0.82  0.82  0.08  1.0
  V  V3  1  0.82  0.82  0.02  1.0
  V  V4  1  0.0  0.82  0.86  1.0
  V  V5  1  0.82  0.0  0.86  1.0
  V  V6  1  0.0  0.82  0.25  1.0
  V  V7  1  0.82  0.0  0.25  1.0
  Si  Si1  1  0.0  0.0  0.55  1.0

data_AlV6Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   9.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlV6Si
_chemical_formula_sum   'Al2 V12 Si2'
_cell_volume   240.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  V  V1  4  0.41  0.41  0.25  1.0
  V  V2  4  0.41  0.41  0.86  1.0
  V  V3  2  0.32  0.5  0.02  1.0
  V  V4  2  0.32  0.5  0.08  1.0
  Si  Si5  2  0.0  0.0  0.55  1.0

Al V V V V V V Si