data_Al2AgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   3.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2AgSb
_chemical_formula_sum   'Al2 Ag1 Sb1'
_cell_volume   82.56
_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  0.0  0.44  0.73  1.0
  Al  Al2  1  0.44  0.0  0.73  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.44  0.44  0.0  1.0

data_Al2AgSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   3.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2AgSb
_chemical_formula_sum   'Al4 Ag2 Sb2'
_cell_volume   165.12
_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  4  0.22  0.22  0.73  1.0
  Ag  Ag1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  2  0.44  0.0  0.0  1.0

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