data_[Al4Pd2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1367]
_cell_length_b [8.9876]
_cell_length_c [7.7187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2PdBr8]
_chemical_formula_sum '[Al4 Pd2 Br16]'
_cell_volume [899.1990]
_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  0.2153  0.0000  0.3203  1.0
  Pd  Pd1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.1125  0.1930  0.1605  1.0
  Br  Br3  4  0.1211  0.5000  0.7362  1.0
  Br  Br4  4  0.1960  0.0000  0.6082  1.0
]