data_Al2NiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.96
_cell_angle_alpha   101.1
_cell_angle_beta   101.1
_cell_angle_gamma   36.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2NiAg
_chemical_formula_sum   'Al2 Ni1 Ag1'
_cell_volume   58.87
_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  Al1  1  0.05  0.0  0.09  1.0
  Al  Al2  1  0.46  0.0  0.77  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.75  0.0  0.43  1.0

data_Al2NiAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.49
_cell_length_c   4.96
_cell_angle_alpha   101.1
_cell_angle_beta   90.0
_cell_angle_gamma   108.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2NiAg
_chemical_formula_sum   'Al2 Ni1 Ag1'
_cell_volume   58.87
_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  0.54  0.23  1.0
  Al  Al1  1  0.0  0.95  0.91  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.25  0.57  1.0

Al Al Ni Ag