data_Al2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62
_cell_length_b   7.62
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2V
_chemical_formula_sum   'Al6 V3'
_cell_volume   138.85
_cell_formula_units_Z   3
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  0.29  0.0  0.38  1.0
  Al  Al1  1  0.86  0.98  0.38  1.0
  Al  Al2  1  0.67  0.62  0.38  1.0
  Al  Al3  1  0.79  0.0  0.0  1.0
  Al  Al4  1  0.6  0.15  0.0  1.0
  Al  Al5  1  0.42  0.45  0.0  1.0
  V  V6  1  0.0  0.4  0.38  1.0
  V  V7  1  0.81  0.2  0.38  1.0
  V  V8  1  0.0  0.0  0.0  1.0

data_Al2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   7.62
_cell_length_c   7.62
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2V
_chemical_formula_sum   'Al6 V3'
_cell_volume   138.85
_cell_formula_units_Z   3
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  0.79  0.0  1.0
  Al  Al1  1  0.0  0.42  0.45  1.0
  Al  Al2  1  0.0  0.6  0.15  1.0
  Al  Al3  1  0.38  0.29  0.0  1.0
  Al  Al4  1  0.38  0.67  0.62  1.0
  Al  Al5  1  0.38  0.86  0.98  1.0
  V  V6  1  0.0  0.0  0.0  1.0
  V  V7  1  0.38  0.0  0.4  1.0
  V  V8  1  0.38  0.81  0.2  1.0

Al Al Al Al Al Al V V V