data_AlVNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07
_cell_length_b   8.07
_cell_length_c   8.07
_cell_angle_alpha   34.81
_cell_angle_beta   34.81
_cell_angle_gamma   34.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVNi2
_chemical_formula_sum   'Al3 V3 Ni6'
_cell_volume   152.68
_cell_formula_units_Z   3
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  0.75  1.0
  Al  Al1  1  0.0  0.0  0.96  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  V  V9  1  0.0  0.0  0.19  1.0
  V  V10  1  0.0  0.0  0.53  1.0
  V  V11  1  0.0  0.0  0.36  1.0
  Ni  Ni3  1  0.18  0.32  0.96  1.0
  Ni  Ni4  1  0.82  0.32  0.96  1.0
  Ni  Ni5  1  0.0  0.36  0.96  1.0
  Ni  Ni6  1  0.82  0.68  0.75  1.0
  Ni  Ni7  1  0.0  0.64  0.75  1.0
  Ni  Ni8  1  0.18  0.68  0.75  1.0

data_AlVNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   8.07
_cell_angle_alpha   72.6
_cell_angle_beta   72.6
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVNi2
_chemical_formula_sum   'Al3 V3 Ni6'
_cell_volume   152.68
_cell_formula_units_Z   3
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  0.0  1.0
  Al  Al1  1  0.0  0.04  0.96  1.0
  Al  Al2  1  0.0  0.25  0.75  1.0
  V  V3  1  0.0  0.47  0.53  1.0
  V  V4  1  0.0  0.64  0.36  1.0
  V  V5  1  0.0  0.81  0.19  1.0
  Ni  Ni6  1  0.32  0.25  0.61  1.0
  Ni  Ni7  1  0.32  0.25  0.25  1.0
  Ni  Ni8  1  0.36  0.25  0.39  1.0
  Ni  Ni9  1  0.64  0.04  0.32  1.0
  Ni  Ni10  1  0.68  0.04  0.46  1.0
  Ni  Ni11  1  0.68  0.04  0.11  1.0

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