data_[Hg4Pd2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/m]
_cell_length_a [14.5080]
_cell_length_b [7.9795]
_cell_length_c [6.8435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg2PdBr8]
_chemical_formula_sum '[Hg4 Pd2 Br16]'
_cell_volume [791.3890]
_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
[
  Hg  Hg0  4  0.1690  0.0000  0.4473  1.0
  Pd  Pd1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.0619  0.2239  0.2331  1.0
  Br  Br3  4  0.1545  0.0000  0.8457  1.0
  Br  Br4  4  0.1547  0.5000  0.5625  1.0
]