data_Al3V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   9.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3V
_chemical_formula_sum   'Al12 V4'
_cell_volume   237.4
_cell_formula_units_Z   4
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  0.62  0.39  0.5  1.0
  Al  Al1  1  0.62  0.39  0.0  1.0
  Al  Al2  1  0.38  0.39  0.5  1.0
  Al  Al3  1  0.76  0.0  0.5  1.0
  Al  Al4  1  0.76  0.0  0.0  1.0
  Al  Al5  1  0.38  0.39  0.0  1.0
  Al  Al6  1  0.39  0.99  0.76  1.0
  Al  Al7  1  0.36  0.79  0.25  1.0
  Al  Al8  1  0.61  0.99  0.76  1.0
  Al  Al9  1  0.0  0.58  0.76  1.0
  Al  Al10  1  0.76  0.2  0.25  1.0
  Al  Al11  1  0.15  0.79  0.25  1.0
  V  V12  1  0.0  0.0  0.5  1.0
  V  V13  1  0.0  0.0  0.0  1.0
  V  V14  1  0.76  0.59  0.76  1.0
  V  V15  1  0.0  0.19  0.25  1.0

data_Al3V
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.52
_cell_length_b   9.01
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Al3V
_chemical_formula_sum   'Al12 V4'
_cell_volume   237.4
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.38  0.25  0.39  1.0
  Al  Al1  2  0.62  0.25  0.39  1.0
  Al  Al2  2  0.76  0.25  0.0  1.0
  Al  Al3  1  0.0  0.0  0.58  1.0
  Al  Al4  1  0.15  0.5  0.79  1.0
  Al  Al5  1  0.36  0.5  0.79  1.0
  Al  Al6  1  0.39  0.0  0.99  1.0
  Al  Al7  1  0.61  0.0  0.99  1.0
  Al  Al8  1  0.76  0.5  0.2  1.0
  V  V9  2  0.0  0.25  0.0  1.0
  V  V10  1  0.0  0.5  0.19  1.0
  V  V11  1  0.76  0.0  0.59  1.0

Al Al Al Al Al Al Al Al Al Al Al Al V V V V