data_[Al4Si2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.4088]
_cell_length_b [3.7596]
_cell_length_c [5.5769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Al2SiSb]
_chemical_formula_sum '[Al4 Si2 Sb2]'
_cell_volume [164.8658]
_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  2  0.0299  0.0000  0.0555  1
  Al  Al1  2  0.2468  0.0000  0.7900  1
  Si  Si2  2  0.2540  0.5000  0.1424  1
  Sb  Sb3  2  0.4693  0.0000  0.5122  1
]