data_AlSi3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSi3Ni2
_chemical_formula_sum   'Al2 Si6 Ni4'
_cell_volume   154.54
_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  0.27  0.78  1.0
  Al  Al1  1  0.83  0.64  0.77  1.0
  Si  Si6  1  0.6  0.08  0.84  1.0
  Si  Si7  1  0.0  0.66  0.84  1.0
  Si  Si8  1  0.4  0.08  0.84  1.0
  Si  Si9  1  0.23  0.83  0.72  1.0
  Si  Si10  1  0.44  0.83  0.72  1.0
  Si  Si11  1  0.83  0.25  0.72  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.83  0.0  0.0  1.0
  Ni  Ni4  1  0.58  0.45  0.0  1.0
  Ni  Ni5  1  0.42  0.45  0.0  1.0

data_AlSi3Ni2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.56
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSi3Ni2
_chemical_formula_sum   'Al2 Si6 Ni4'
_cell_volume   154.54
_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  0.77  0.83  0.64  1.0
  Al  Al1  1  0.78  -0.0  0.27  1.0
  Si  Si2  1  0.72  0.23  0.83  1.0
  Si  Si3  1  0.72  0.44  0.83  1.0
  Si  Si4  1  0.72  0.83  0.25  1.0
  Si  Si5  1  0.84  -0.0  0.66  1.0
  Si  Si6  1  0.84  0.4  0.08  1.0
  Si  Si7  1  0.84  0.6  0.08  1.0
  Ni  Ni8  1  -0.0  0.42  0.45  1.0
  Ni  Ni9  1  -0.0  0.58  0.45  1.0
  Ni  Ni10  1  0.0  0.0  0.0  1.0
  Ni  Ni11  1  0.0  0.83  0.0  1.0

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