data_Al8CuNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   10.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al8CuNi2
_chemical_formula_sum   'Al8 Cu1 Ni2'
_cell_volume   162.88
_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  0.0  0.95  0.35  1.0
  Al  Al1  1  0.95  0.0  0.35  1.0
  Al  Al2  1  0.95  0.95  0.44  1.0
  Al  Al3  1  0.95  0.95  0.27  1.0
  Al  Al4  1  0.0  0.95  0.56  1.0
  Al  Al5  1  0.95  0.0  0.56  1.0
  Al  Al6  1  0.0  0.95  0.15  1.0
  Al  Al7  1  0.95  0.0  0.15  1.0
  Cu  Cu8  1  0.0  0.0  0.0  1.0
  Ni  Ni9  1  0.0  0.0  0.59  1.0
  Ni  Ni10  1  0.0  0.0  0.12  1.0

data_Al8CuNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   10.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al8CuNi2
_chemical_formula_sum   'Al16 Cu2 Ni4'
_cell_volume   325.76
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.48  0.48  0.15  1.0
  Al  Al1  4  0.48  0.48  0.35  1.0
  Al  Al2  4  0.48  0.48  0.56  1.0
  Al  Al3  2  0.45  0.5  0.27  1.0
  Al  Al4  2  0.45  0.5  0.44  1.0
  Cu  Cu5  2  0.0  0.0  0.0  1.0
  Ni  Ni6  2  0.0  0.0  0.12  1.0
  Ni  Ni7  2  0.0  0.0  0.59  1.0

Al Al Al Al Al Al Al Al Cu Ni Ni
Al Al Al Al Al Al Al Al Cu Ni Ni 0 1 - + o 0 2 - o o 0 3 - o o 1 2 o - o 1 3 o - o 4 5 - + o 4 9 o + o 5 9 + o o 6 7 - + o 6 10 o + o 6 8 o + o 7 10 + o o 7 8 + o o 8 10 o o o 