data_[Al4Pb2Br16]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6554]
_cell_length_b [10.1647]
_cell_length_c [6.7656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3891]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2PbBr8]
_chemical_formula_sum '[Al4 Pb2 Br16]'
_cell_volume [926.5054]
_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  4  0.2000  0.0000  0.6592  1.0
  Pb  Pb1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.1119  0.1840  0.7519  1.0
  Br  Br3  4  0.1378  0.5000  0.1959  1.0
  Br  Br4  4  0.1944  0.0000  0.3089  1.0
]