data_Al2InAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.11
_cell_angle_alpha   98.88
_cell_angle_beta   98.88
_cell_angle_gamma   34.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2InAg
_chemical_formula_sum   'Al2 In1 Ag1'
_cell_volume   76.61
_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  0.93  0.0  0.85  1.0
  Al  Al2  1  0.18  0.0  0.19  1.0
  In  In3  1  0.55  0.0  0.52  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Al2InAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.11
_cell_length_c   5.2
_cell_angle_alpha   98.88
_cell_angle_beta   107.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2InAg
_chemical_formula_sum   'Al2 In1 Ag1'
_cell_volume   76.61
_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  0.19  0.18  1.0
  Al  Al1  1  0.0  0.85  0.93  1.0
  In  In2  1  0.0  0.52  0.55  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

Al Al In Ag
Al Al In Ag 0 3 + o + 0 2 o o o 1 3 o o o 1 2 o o o 