data_Al3Si2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Si2Ni
_chemical_formula_sum   'Al3 Si2 Ni1'
_cell_volume   99.76
_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  0.73  0.2  0.23  1.0
  Al  Al1  1  0.27  0.2  0.23  1.0
  Al  Al2  1  0.54  0.0  0.23  1.0
  Si  Si4  1  0.54  0.47  0.0  1.0
  Si  Si5  1  0.0  0.93  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Al3Si2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Si2Ni
_chemical_formula_sum   'Al3 Si2 Ni1'
_cell_volume   99.76
_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  0.23  0.27  0.2  1.0
  Al  Al1  1  0.23  0.54  0.0  1.0
  Al  Al2  1  0.23  0.73  0.2  1.0
  Si  Si3  1  0.0  0.0  0.93  1.0
  Si  Si4  1  0.0  0.54  0.47  1.0
  Ni  Ni5  1  0.0  0.0  0.0  1.0

Al Al Al Si Si Ni