data_Al2AgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   7.77
_cell_angle_alpha   124.56
_cell_angle_beta   124.56
_cell_angle_gamma   30.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2AgCl
_chemical_formula_sum   'Al2 Ag1 Cl1'
_cell_volume   100.19
_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  0.37  0.0  0.93  1.0
  Al  Al2  1  0.83  0.0  0.36  1.0
  Ag  Ag0  1  0.71  0.0  0.14  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

data_Al2AgCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.59
_cell_length_c   6.51
_cell_angle_alpha   79.55
_cell_angle_beta   76.85
_cell_angle_gamma   74.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2AgCl
_chemical_formula_sum   'Al2 Ag1 Cl1'
_cell_volume   100.19
_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  0.44  0.93  1.0
  Al  Al1  1  0.0  0.48  0.36  1.0
  Ag  Ag2  1  0.0  0.57  0.14  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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