data_Al5SiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5SiNi
_chemical_formula_sum   'Al5 Si1 Ni1'
_cell_volume   111.61
_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  0.0  0.0  1.0
  Al  Al1  1  0.92  0.0  0.93  1.0
  Al  Al2  1  0.0  0.92  0.93  1.0
  Al  Al3  1  0.92  0.0  0.62  1.0
  Al  Al4  1  0.0  0.92  0.62  1.0
  Si  Si6  1  0.92  0.92  0.77  1.0
  Ni  Ni5  1  0.92  0.92  0.0  1.0

data_Al5SiNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al5SiNi
_chemical_formula_sum   'Al10 Si2 Ni2'
_cell_volume   223.22
_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  0.46  0.46  0.62  1.0
  Al  Al1  4  0.46  0.46  0.93  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0
  Si  Si3  2  0.42  0.5  0.77  1.0
  Ni  Ni4  2  0.42  0.5  -0.0  1.0

Al Al Al Al Al Si Ni
Al Al Al Al Al Si Ni 0 6 - - o 1 2 + - o 1 5 o - o 2 5 - o o 3 4 + - o 3 5 o - o 4 5 - o o 