data_[Al2Sb6Se4Cl2O16]
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
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [8.0050]
_cell_length_b [9.4024]
_cell_length_c [6.9430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [AlSb3Se2ClO8]
_chemical_formula_sum '[Al2 Sb6 Se4 Cl2 O16]'
_cell_volume [522.5734]
_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  1  0.0000  0.0000  0.3315  1
  Al  Al1  1  0.5000  0.5000  0.6676  1
  Sb  Sb2  4  0.2429  0.2453  0.0020  1
  Sb  Sb3  1  0.0000  0.0000  0.8659  1
  Sb  Sb4  1  0.5000  0.5000  0.1094  1
  Se  Se5  2  0.0000  0.3123  0.5546  1
  Se  Se6  2  0.5000  0.1880  0.4461  1
  Cl  Cl7  1  0.0000  0.5000  0.0867  1
  Cl  Cl8  1  0.5000  0.0000  0.9139  1
  O  O9  4  0.1697  0.3321  0.7033  1
  O  O10  4  0.3296  0.1680  0.2975  1
  O  O11  2  0.0000  0.1247  0.5345  1
  O  O12  2  0.0000  0.1404  0.1440  1
  O  O13  2  0.5000  0.3623  0.8606  1
  O  O14  2  0.5000  0.3738  0.4676  1
]