data_AlFeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   3.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFeSb2
_chemical_formula_sum   'Al1 Fe1 Sb2'
_cell_volume   81.52
_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
  Fe  Fe1  1  0.1  0.0  0.0  1.0
  Sb  Sb2  1  0.55  0.11  0.74  1.0
  Sb  Sb3  1  0.55  0.89  0.74  1.0

data_AlFeSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   101.39
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFeSb2
_chemical_formula_sum   'Al1 Fe1 Sb2'
_cell_volume   81.52
_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
  Fe  Fe1  1  -0.0  0.1  0.0  1.0
  Sb  Sb2  1  0.74  0.55  0.89  1.0
  Sb  Sb3  1  0.74  0.55  0.11  1.0

Al Fe Sb Sb