data_[Pd8Se8Br4]
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 [12.4245]
_cell_length_b [6.2539]
_cell_length_c [5.9584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pd2Se2Br]
_chemical_formula_sum '[Pd8 Se8 Br4]'
_cell_volume [451.4635]
_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  8  0.1925  0.4673  0.9681  1
  Se  Se1  8  0.1660  0.1819  0.2582  1
  Br  Br2  4  0.0000  0.2942  0.7500  1
]