data_Al2AgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.35
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2AgCl
_chemical_formula_sum   'Al2 Ag1 Cl1'
_cell_volume   74.32
_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  0.97  0.68  0.25  1.0
  Al  Al2  1  0.98  0.68  0.04  1.0
  Ag  Ag0  1  0.47  0.0  0.65  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   3.04
_cell_length_b   3.35
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2AgCl
_chemical_formula_sum   'Al2 Ag1 Cl1'
_cell_volume   74.32
_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  0.97  0.68  0.25  1.0
  Al  Al1  1  0.98  0.68  0.04  1.0
  Ag  Ag2  1  0.47  0.0  0.65  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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