data_Al4Ag3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   5.02
_cell_length_c   5.12
_cell_angle_alpha   99.87
_cell_angle_beta   99.3
_cell_angle_gamma   96.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4Ag3
_chemical_formula_sum   'Al4 Ag3'
_cell_volume   119.1
_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  0.93  0.7  0.73  1.0
  Al  Al4  1  0.99  0.6  0.55  1.0
  Al  Al5  1  0.46  0.41  0.41  1.0
  Al  Al6  1  0.52  0.31  0.23  1.0
  Ag  Ag0  1  0.32  0.11  0.08  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.13  0.9  0.88  1.0

data_Al4Ag3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.82
_cell_length_b   5.02
_cell_length_c   5.12
_cell_angle_alpha   99.87
_cell_angle_beta   99.3
_cell_angle_gamma   96.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4Ag3
_chemical_formula_sum   'Al4 Ag3'
_cell_volume   119.1
_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  0.46  0.41  0.41  1.0
  Al  Al1  1  0.52  0.31  0.23  1.0
  Al  Al2  1  0.93  0.7  0.73  1.0
  Al  Al3  1  0.99  0.6  0.55  1.0
  Ag  Ag4  1  0.0  0.0  0.0  1.0
  Ag  Ag5  1  0.13  0.9  0.88  1.0
  Ag  Ag6  1  0.32  0.11  0.08  1.0

Al Al Al Al Ag Ag Ag
Al Al Al Al Ag Ag Ag 0 1 o o o 2 3 o o o 3 4 o o o 4 5 o o o 4 6 o - - 5 6 o - - 