data_Li2AlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   135.36
_cell_angle_beta   135.36
_cell_angle_gamma   64.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AlAg
_chemical_formula_sum   'Li2 Al1 Ag1'
_cell_volume   64.73
_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
  Li  Li2  1  0.94  0.0  0.15  1.0
  Li  Li3  1  0.0  0.94  0.15  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.31  1.0

data_Li2AlAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   122.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2AlAg
_chemical_formula_sum   'Li4 Al2 Ag2'
_cell_volume   129.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Li  Li0  4  0.03  0.03  0.21  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Ag  Ag2  2  0.0  0.0  0.31  1.0

Li Li Al Ag
Li Li Al Ag 0 1 + - o 0 2 + o o 0 3 + o o 1 2 o + o 1 3 o + o 