data_[Pd4Se24Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.2431]
_cell_length_b [8.9357]
_cell_length_c [13.1292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pd(Se3Br)2]
_chemical_formula_sum '[Pd4 Se24 Br8]'
_cell_volume [1292.0301]
_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
[
  Pd  Pd0  4  0.0000  0.0061  0.7500  1
  Se  Se1  8  0.0754  0.1785  0.3838  1
  Se  Se2  8  0.1368  0.2694  0.1260  1
  Se  Se3  8  0.1562  0.3761  0.2919  1
  Br  Br4  8  0.0816  0.7995  0.3810  1
]