data_Al4SiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.2
_cell_length_b   9.2
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   162.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4SiNi
_chemical_formula_sum   'Al8 Si2 Ni2'
_cell_volume   179.72
_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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.0  0.61  1.0
  Al  Al2  1  0.37  0.29  0.38  1.0
  Al  Al3  1  0.37  0.71  0.99  1.0
  Al  Al4  1  0.37  0.29  0.22  1.0
  Al  Al5  1  0.37  0.71  0.83  1.0
  Al  Al6  1  0.37  0.5  0.41  1.0
  Al  Al7  1  0.37  0.5  0.8  1.0
  Si  Si10  1  0.37  0.99  0.41  1.0
  Si  Si11  1  0.37  0.01  0.8  1.0
  Ni  Ni8  1  0.37  0.07  0.41  1.0
  Ni  Ni9  1  0.37  0.93  0.8  1.0

data_Al4SiNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   7.21
_cell_length_c   9.2
_cell_angle_alpha   90.0
_cell_angle_beta   98.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4SiNi
_chemical_formula_sum   'Al8 Si2 Ni2'
_cell_volume   179.72
_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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.39  0.0  1.0
  Al  Al2  1  0.29  0.62  0.92  1.0
  Al  Al3  1  0.29  0.78  0.92  1.0
  Al  Al4  1  0.5  0.2  0.13  1.0
  Al  Al5  1  0.5  0.59  0.13  1.0
  Al  Al6  1  0.71  0.01  0.34  1.0
  Al  Al7  1  0.71  0.17  0.34  1.0
  Si  Si8  1  0.01  0.2  0.64  1.0
  Si  Si9  1  0.99  0.59  0.62  1.0
  Ni  Ni10  1  0.07  0.59  0.71  1.0
  Ni  Ni11  1  0.93  0.2  0.56  1.0

Al Al Al Al Al Al Al Al Si Si Ni Ni