data_[Pd4S4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4_2/mmc]
_cell_length_a [7.3837]
_cell_length_b [7.3837]
_cell_length_c [5.2175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [131]
_chemical_formula_structural [PdSBr]
_chemical_formula_sum '[Pd4 S4 Br4]'
_cell_volume [284.4575]
_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  0.2571  0.5000  0.0000  1.0
  S  S1  4  0.2949  0.5000  0.5000  1.0
  Br  Br2  4  0.0000  0.2666  0.0000  1.0
]