data_AlV2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   7.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Ni
_chemical_formula_sum   'Al2 V4 Ni2'
_cell_volume   116.25
_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  0.1  0.21  0.52  1.0
  Al  Al1  1  0.0  0.43  0.07  1.0
  V  V4  1  0.1  0.21  0.18  1.0
  V  V5  1  0.0  0.43  0.42  1.0
  V  V6  1  0.1  0.21  0.82  1.0
  V  V7  1  0.0  0.43  0.78  1.0
  Ni  Ni2  1  0.0  0.0  0.39  1.0
  Ni  Ni3  1  0.0  0.0  0.2  1.0

data_AlV2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   7.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Ni
_chemical_formula_sum   'Al2 V4 Ni2'
_cell_volume   116.25
_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  0.43  0.07  1.0
  Al  Al1  1  0.1  0.21  0.52  1.0
  V  V2  1  0.0  0.43  0.42  1.0
  V  V3  1  0.0  0.43  0.78  1.0
  V  V4  1  0.1  0.21  0.18  1.0
  V  V5  1  0.1  0.21  0.82  1.0
  Ni  Ni6  1  0.0  0.0  0.2  1.0
  Ni  Ni7  1  0.0  0.0  0.39  1.0

Al Al V V V V Ni Ni
Al Al V V V V Ni Ni 0 3 o o o 0 6 o o o 1 2 o o o 2 7 o o o 4 5 o o o 6 7 o o o 