data_AlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.25
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   91.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSb
_chemical_formula_sum   'Al2 Sb2'
_cell_volume   118.52
_cell_formula_units_Z   2
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  0.07  0.06  0.0  1.0
  Al  Al1  1  0.04  0.19  0.58  1.0
  Sb  Sb2  1  0.04  0.06  0.79  1.0
  Sb  Sb3  1  0.06  0.19  0.8  1.0

data_AlSb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.23
_cell_length_b   4.25
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   91.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlSb
_chemical_formula_sum   'Al2 Sb2'
_cell_volume   118.52
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.01  0.94  0.71  1.0
  Sb  Sb1  2  0.01  0.06  0.51  1.0

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