data_AlSiNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSiNi2
_chemical_formula_sum   'Al1 Si1 Ni2'
_cell_volume   53.16
_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
  Si  Si3  1  0.37  0.79  0.11  1.0
  Ni  Ni1  1  0.0  0.0  0.41  1.0
  Ni  Ni2  1  0.0  0.0  0.81  1.0

data_AlSiNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSiNi2
_chemical_formula_sum   'Al1 Si1 Ni2'
_cell_volume   53.16
_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
  Si  Si1  1  0.37  0.79  0.11  1.0
  Ni  Ni2  1  0.0  0.0  0.41  1.0
  Ni  Ni3  1  0.0  0.0  0.81  1.0

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