data_AlV2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   4.17
_cell_length_c   5.16
_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   112.4
_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  0.91  0.09  0.35  1.0
  Al  Al1  1  0.3  0.09  0.81  1.0
  V  V4  1  0.0  0.0  0.0  1.0
  V  V5  1  0.61  0.0  0.0  1.0
  V  V6  1  0.91  0.0  0.75  1.0
  V  V7  1  0.3  0.0  0.41  1.0
  Si  Si2  1  0.91  0.09  0.04  1.0
  Si  Si3  1  0.3  0.09  0.12  1.0

data_AlV2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   5.16
_cell_length_c   5.22
_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   112.4
_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  0.09  0.35  0.91  1.0
  Al  Al1  1  0.09  0.81  0.3  1.0
  V  V2  1  0.0  -0.0  0.61  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  V  V4  1  0.0  0.41  0.3  1.0
  V  V5  1  0.0  0.75  0.91  1.0
  Si  Si6  1  0.09  0.04  0.91  1.0
  Si  Si7  1  0.09  0.12  0.3  1.0

Al Al V V V V Si Si