data_[Cs2Hg2Pd2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.4302]
_cell_length_b [11.8829]
_cell_length_c [8.1393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsHgPdBr6]
_chemical_formula_sum '[Cs2 Hg2 Pd2 Br12]'
_cell_volume [717.3881]
_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
[
  Cs  Cs0  2  0.0000  0.9975  0.5000  1.0
  Hg  Hg1  2  0.0000  0.3187  0.0000  1.0
  Pd  Pd2  2  0.0000  0.6673  0.0000  1.0
  Br  Br3  4  0.1328  0.5146  0.1810  1.0
  Br  Br4  4  0.1635  0.8113  0.1795  1.0
  Br  Br5  4  0.2108  0.1826  0.2031  1.0
]