data_Al4V2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32
_cell_length_b   4.01
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   93.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4V2Ni
_chemical_formula_sum   'Al8 V4 Ni2'
_cell_volume   218.9
_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  0.43  0.0  0.69  1.0
  Al  Al1  1  0.46  0.01  0.77  1.0
  Al  Al2  1  0.7  0.0  0.3  1.0
  Al  Al3  1  0.18  0.01  0.16  1.0
  Al  Al4  1  0.24  0.0  0.53  1.0
  Al  Al5  1  0.64  0.01  0.93  1.0
  Al  Al6  1  0.92  0.0  0.42  1.0
  Al  Al7  1  0.96  0.01  0.03  1.0
  V  V10  1  0.13  0.0  0.21  1.0
  V  V11  1  0.75  0.01  0.25  1.0
  V  V12  1  0.41  0.0  0.39  1.0
  V  V13  1  0.48  0.01  0.07  1.0
  Ni  Ni8  1  0.89  0.01  0.82  1.0
  Ni  Ni9  1  0.0  0.0  0.64  1.0

data_Al4V2Ni
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   7.32
_cell_length_b   4.01
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   93.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   Al4V2Ni
_chemical_formula_sum   'Al8 V4 Ni2'
_cell_volume   218.9
_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'
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  2  0.01  0.0  0.54  1.0
  Al  Al1  2  0.2  0.0  0.7  1.0
  Al  Al2  2  0.26  0.0  0.07  1.0
  Al  Al3  2  0.48  0.0  0.19  1.0
  V  V4  2  0.03  0.0  0.84  1.0
  V  V5  2  0.31  0.0  0.02  1.0
  Ni  Ni6  2  0.44  0.0  0.59  1.0

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