data_Al2VSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VSi
_chemical_formula_sum   'Al4 V2 Si2'
_cell_volume   126.79
_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  0.15  0.24  0.17  1.0
  Al  Al1  1  0.0  0.49  0.72  1.0
  Al  Al2  1  0.15  0.24  0.98  1.0
  Al  Al3  1  0.0  0.49  0.92  1.0
  V  V6  1  0.0  0.0  0.24  1.0
  V  V7  1  0.0  0.0  0.65  1.0
  Si  Si4  1  0.15  0.24  0.51  1.0
  Si  Si5  1  0.0  0.49  0.38  1.0

data_Al2VSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VSi
_chemical_formula_sum   'Al4 V2 Si2'
_cell_volume   126.79
_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  0.49  0.72  1.0
  Al  Al1  1  0.0  0.49  0.92  1.0
  Al  Al2  1  0.15  0.24  0.17  1.0
  Al  Al3  1  0.15  0.24  0.98  1.0
  V  V4  1  0.0  0.0  0.24  1.0
  V  V5  1  0.0  0.0  0.65  1.0
  Si  Si6  1  0.0  0.49  0.38  1.0
  Si  Si7  1  0.15  0.24  0.51  1.0

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