data_Al2(VNi)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2(VNi)3
_chemical_formula_sum   'Al4 V6 Ni6'
_cell_volume   205.92
_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  0.52  0.03  0.41  1.0
  Al  Al1  1  0.0  0.06  0.0  1.0
  Al  Al2  1  0.0  0.06  0.41  1.0
  Al  Al3  1  0.52  0.03  0.0  1.0
  V  V10  1  0.32  0.65  0.61  1.0
  V  V11  1  0.83  0.44  0.61  1.0
  V  V12  1  0.37  0.0  0.61  1.0
  V  V13  1  0.17  0.44  0.2  1.0
  V  V14  1  0.68  0.65  0.2  1.0
  V  V15  1  0.66  0.0  0.2  1.0
  Ni  Ni4  1  0.56  0.49  0.61  1.0
  Ni  Ni5  1  0.08  0.6  0.61  1.0
  Ni  Ni6  1  0.87  0.0  0.61  1.0
  Ni  Ni7  1  0.92  0.6  0.2  1.0
  Ni  Ni8  1  0.44  0.49  0.2  1.0
  Ni  Ni9  1  0.16  0.0  0.2  1.0

data_Al2(VNi)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.81
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2(VNi)3
_chemical_formula_sum   'Al4 V6 Ni6'
_cell_volume   205.92
_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  0.52  0.03  1.0
  Al  Al1  1  0.0  0.0  0.06  1.0
  Al  Al2  1  0.41  0.0  0.06  1.0
  Al  Al3  1  0.41  0.52  0.03  1.0
  V  V4  1  0.2  0.17  0.44  1.0
  V  V5  1  0.2  0.66  0.0  1.0
  V  V6  1  0.2  0.68  0.65  1.0
  V  V7  1  0.61  0.32  0.65  1.0
  V  V8  1  0.61  0.37  0.0  1.0
  V  V9  1  0.61  0.83  0.44  1.0
  Ni  Ni10  1  0.2  0.16  0.0  1.0
  Ni  Ni11  1  0.2  0.44  0.49  1.0
  Ni  Ni12  1  0.2  0.92  0.6  1.0
  Ni  Ni13  1  0.61  0.08  0.6  1.0
  Ni  Ni14  1  0.61  0.56  0.49  1.0
  Ni  Ni15  1  0.61  0.87  0.0  1.0

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