data_[Al2Si4Sb2]
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 [Amm2]
_cell_length_a [3.6867]
_cell_length_b [2.8530]
_cell_length_c [15.0293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [AlSi2Sb]
_chemical_formula_sum '[Al2 Si4 Sb2]'
_cell_volume [158.0781]
_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  0.0000  0.0000  0.6623  1
  Si  Si1  2  0.0000  0.0000  0.9584  1
  Si  Si2  2  0.5000  0.0000  0.0690  1
  Sb  Sb3  2  0.5000  0.0000  0.8151  1
]