data_Al2AgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2AgPb
_chemical_formula_sum   'Al2 Ag1 Pb1'
_cell_volume   83.6
_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  0.57  0.57  0.39  1.0
  Al  Al2  1  0.0  0.0  0.72  1.0
  Ag  Ag0  1  0.0  0.0  0.71  1.0
  Pb  Pb3  1  0.57  0.57  0.29  1.0

data_Al2AgPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2AgPb
_chemical_formula_sum   'Al4 Ag2 Pb2'
_cell_volume   167.21
_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
  Al  Al0  2  0.0  0.0  0.72  1.0
  Al  Al1  2  0.07  0.5  0.39  1.0
  Ag  Ag2  2  0.0  0.0  0.71  1.0
  Pb  Pb3  2  0.07  0.5  0.29  1.0

Al Al Ag Pb
Al Al Ag Pb 0 3 o o o 1 2 o o o 