data_AlSiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   134.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSiNi
_chemical_formula_sum   'Al2 Si2 Ni2'
_cell_volume   79.21
_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  0.9  0.06  0.16  1.0
  Al  Al1  1  0.9  0.94  0.48  1.0
  Si  Si4  1  0.0  0.0  0.0  1.0
  Si  Si5  1  0.0  0.0  0.32  1.0
  Ni  Ni2  1  0.9  0.79  0.16  1.0
  Ni  Ni3  1  0.9  0.21  0.48  1.0

data_AlSiNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.64
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   112.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSiNi
_chemical_formula_sum   'Al2 Si2 Ni2'
_cell_volume   79.21
_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  0.06  0.84  0.16  1.0
  Al  Al1  1  0.94  0.52  0.04  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.0  0.68  0.0  1.0
  Ni  Ni4  1  0.21  0.52  0.31  1.0
  Ni  Ni5  1  0.79  0.84  0.89  1.0

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