data_AlSiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   4.79
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSiSb2
_chemical_formula_sum   'Al1 Si1 Sb2'
_cell_volume   89.1
_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  0.0  0.0  0.0  1.0
  Si  Si3  1  0.82  0.0  0.56  1.0
  Sb  Sb1  1  0.0  0.4  0.56  1.0
  Sb  Sb2  1  0.82  0.4  0.0  1.0

data_AlSiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.79
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSiSb2
_chemical_formula_sum   'Al1 Si1 Sb2'
_cell_volume   89.1
_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  0.0  0.0  0.0  1.0
  Si  Si1  1  0.82  0.0  0.56  1.0
  Sb  Sb2  1  0.0  0.4  0.56  1.0
  Sb  Sb3  1  0.82  0.4  0.0  1.0

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