data_AlAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   3.95
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg3
_chemical_formula_sum   'Al1 Ag3'
_cell_volume   68.81
_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  Al3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.47  0.98  0.49  1.0
  Ag  Ag1  1  0.0  0.0  0.95  1.0
  Ag  Ag2  1  0.47  0.98  0.42  1.0

data_AlAg3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.95
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg3
_chemical_formula_sum   'Al1 Ag3'
_cell_volume   68.81
_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  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.95  1.0
  Ag  Ag2  1  0.47  0.98  0.42  1.0
  Ag  Ag3  1  0.47  0.98  0.49  1.0

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