data_GdAl2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   6.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   137.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdAl2Ni
_chemical_formula_sum   'Gd2 Al4 Ni2'
_cell_volume   144.01
_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
  Gd  Gd4  1  0.03  0.62  0.15  1.0
  Gd  Gd5  1  0.03  0.38  0.72  1.0
  Al  Al0  1  0.03  0.52  0.81  1.0
  Al  Al1  1  0.03  0.52  0.49  1.0
  Al  Al2  1  0.03  0.48  0.38  1.0
  Al  Al3  1  0.03  0.48  0.06  1.0
  Ni  Ni6  1  0.03  0.77  0.15  1.0
  Ni  Ni7  1  0.03  0.23  0.72  1.0

data_GdAl2Ni
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.06
_cell_length_b   5.55
_cell_length_c   6.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.45
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GdAl2Ni
_chemical_formula_sum   'Gd2 Al4 Ni2'
_cell_volume   144.01
_cell_formula_units_Z   2
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
  Gd  Gd0  2  0.38  0.38  0.72  1.0
  Al  Al1  2  0.48  0.48  0.06  1.0
  Al  Al2  2  0.48  0.48  0.38  1.0
  Ni  Ni3  2  0.23  0.23  0.72  1.0

Gd Gd Al Al Al Al Ni Ni