data_Al3V2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3V2Ni
_chemical_formula_sum   'Al6 V4 Ni2'
_cell_volume   165.02
_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  0.77  0.74  0.58  1.0
  Al  Al1  1  0.53  0.9  0.58  1.0
  Al  Al2  1  0.29  0.74  0.58  1.0
  Al  Al3  1  0.76  0.64  0.86  1.0
  Al  Al4  1  0.0  0.49  0.86  1.0
  Al  Al5  1  0.24  0.64  0.86  1.0
  V  V8  1  0.0  0.92  0.29  1.0
  V  V9  1  0.53  0.46  0.58  1.0
  V  V10  1  0.53  0.46  0.14  1.0
  V  V11  1  0.0  0.92  0.86  1.0
  Ni  Ni6  1  0.0  0.0  0.72  1.0
  Ni  Ni7  1  0.0  0.0  0.0  1.0

data_Al3V2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3V2Ni
_chemical_formula_sum   'Al6 V4 Ni2'
_cell_volume   165.02
_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  0.86  1.0
  Al  Al1  1  0.24  0.64  0.86  1.0
  Al  Al2  1  0.29  0.74  0.58  1.0
  Al  Al3  1  0.53  0.9  0.58  1.0
  Al  Al4  1  0.76  0.64  0.86  1.0
  Al  Al5  1  0.77  0.74  0.58  1.0
  V  V6  1  -0.0  0.92  0.29  1.0
  V  V7  1  -0.0  0.92  0.86  1.0
  V  V8  1  0.53  0.46  0.14  1.0
  V  V9  1  0.53  0.46  0.58  1.0
  Ni  Ni10  1  0.0  0.0  0.0  1.0
  Ni  Ni11  1  0.0  0.0  0.72  1.0

Al Al Al Al Al Al V V V V Ni Ni