data_AlFe2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.6
_cell_length_b   2.6
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2Ni
_chemical_formula_sum   'Al1 Fe2 Ni1'
_cell_volume   47.67
_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
  Fe  Fe1  1  0.82  0.0  0.8  1.0
  Fe  Fe2  1  0.82  0.0  0.23  1.0
  Ni  Ni3  1  0.0  0.0  0.51  1.0

data_AlFe2Ni
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.6
_cell_length_b   2.6
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   AlFe2Ni
_chemical_formula_sum   'Al1 Fe2 Ni1'
_cell_volume   47.69
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Fe  Fe1  1  0.82  0.0  0.23  1.0
  Fe  Fe2  1  0.82  0.0  0.8  1.0
  Ni  Ni3  1  0.0  0.0  0.51  1.0

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