data_Al4VNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   29.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4VNi2
_chemical_formula_sum   'Al8 V2 Ni4'
_cell_volume   193.12
_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  0.0  0.77  1.0
  Al  Al1  1  0.0  0.0  0.26  1.0
  Al  Al2  1  0.0  0.6  0.84  1.0
  Al  Al3  1  0.39  0.8  0.33  1.0
  Al  Al4  1  0.0  0.0  0.49  1.0
  Al  Al5  1  0.0  0.0  0.99  1.0
  Al  Al6  1  0.39  0.8  0.06  1.0
  Al  Al7  1  0.0  0.6  0.55  1.0
  V  V12  1  0.0  0.0  0.98  1.0
  V  V13  1  0.0  0.0  0.47  1.0
  Ni  Ni8  1  0.39  0.8  0.66  1.0
  Ni  Ni9  1  0.0  0.6  0.15  1.0
  Ni  Ni10  1  0.0  0.6  0.54  1.0
  Ni  Ni11  1  0.39  0.8  0.04  1.0

data_Al4VNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   29.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4VNi2
_chemical_formula_sum   'Al8 V2 Ni4'
_cell_volume   193.12
_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  0.0  0.26  1.0
  Al  Al1  1  0.0  0.0  0.49  1.0
  Al  Al2  1  0.0  0.0  0.77  1.0
  Al  Al3  1  0.0  0.0  0.99  1.0
  Al  Al4  1  0.0  0.6  0.55  1.0
  Al  Al5  1  0.0  0.6  0.84  1.0
  Al  Al6  1  0.39  0.8  0.06  1.0
  Al  Al7  1  0.39  0.8  0.33  1.0
  V  V8  1  0.0  0.0  0.47  1.0
  V  V9  1  0.0  0.0  0.98  1.0
  Ni  Ni10  1  0.0  0.6  0.15  1.0
  Ni  Ni11  1  0.0  0.6  0.54  1.0
  Ni  Ni12  1  0.39  0.8  0.04  1.0
  Ni  Ni13  1  0.39  0.8  0.66  1.0

Al Al Al Al Al Al Al Al V V Ni Ni Ni Ni
Al Al Al Al Al Al Al Al V V Ni Ni Ni Ni 0 0 + + o 0 0 o + o 0 0 + o o 0 2 o o o 0 2 o - o 1 3 - - o 1 3 o o o 1 3 o - o 1 1 + + o 1 1 o + o 1 1 + o o 2 2 + + o 2 2 o + o 2 2 + o o 3 3 + + o 3 3 o + o 3 3 + o o 4 9 o o o 5 8 o o o 6 13 o o o 6 11 + + o 6 11 + o o 6 11 o o o 7 12 o o o 7 10 o o o 10 10 + + o 10 10 o + o 10 10 + o o 11 11 + + o 11 11 o + o 11 11 + o o 