data_[Al4Pb4Br4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3007]
_cell_length_b [9.3447]
_cell_length_c [10.0633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlPbBrCl4]
_chemical_formula_sum '[Al4 Pb4 Br4 Cl16]'
_cell_volume [1040.0828]
_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  4  0.1516  0.5000  0.3447  1.0
  Pb  Pb1  4  0.0682  0.0000  0.2337  1.0
  Br  Br2  4  0.1667  0.0000  0.0277  1.0
  Cl  Cl3  8  0.0465  0.3189  0.2175  1.0
  Cl  Cl4  4  0.1606  0.5000  0.5646  1.0
  Cl  Cl5  4  0.1642  0.0000  0.6254  1.0
]