data_[Al4Sb4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.1181]
_cell_length_b [11.5303]
_cell_length_c [5.5032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [AlSbO3]
_chemical_formula_sum '[Al4 Sb4 O12]'
_cell_volume [324.7629]
_cell_formula_units_Z [4]
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  0.0025  0.2376  0.4019  1.0
  Al  Al1  2  0.4987  0.7627  0.9281  1.0
  Sb  Sb2  2  0.0083  0.4352  0.9188  1.0
  Sb  Sb3  2  0.4899  0.5655  0.4431  1.0
  O  O4  2  0.0253  0.3372  0.6365  1.0
  O  O5  2  0.1528  0.1006  0.4439  1.0
  O  O6  2  0.1662  0.2978  0.1402  1.0
  O  O7  2  0.3337  0.7016  0.6660  1.0
  O  O8  2  0.3488  0.8988  0.9735  1.0
  O  O9  2  0.4770  0.6629  0.1620  1.0
]