data_Al2VNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VNi
_chemical_formula_sum   'Al2 V1 Ni1'
_cell_volume   52.52
_cell_formula_units_Z   1
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  0.37  0.37  0.93  1.0
  Al  Al1  1  0.37  0.37  0.06  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.0  0.49  1.0

data_Al2VNi
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   6.99
_cell_length_b   3.88
_cell_length_c   3.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   Al2VNi
_chemical_formula_sum   'Al4 V2 Ni2'
_cell_volume   105.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  4  0.07  0.0  0.37  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Ni  Ni2  2  0.5  0.0  0.0  1.0

Al Al V Ni
Al Al V Ni 0 1 o o + 0 2 o o + 1 2 o o o 3 3 + o o 3 3 o + o 