data_[Al6As6Pb12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5458]
_cell_length_b [5.5458]
_cell_length_c [27.3038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [AlAs(PbO3)2]
_chemical_formula_sum '[Al6 As6 Pb12 O36]'
_cell_volume [727.2479]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.4054  1
  As  As1  3  -0.0000  -0.0000  0.5000  1
  As  As2  3  0.0000  0.0000  0.0000  1
  Pb  Pb3  6  0.0000  0.0000  0.1278  1
  Pb  Pb4  6  0.0000  0.0000  0.2815  1
  O  O5  18  0.0136  0.5068  0.7063  1
  O  O6  18  0.0329  0.5165  0.1235  1
]