data_[Hg2Pd2Br2]
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 [Cm]
_cell_length_a [12.4188]
_cell_length_b [3.3610]
_cell_length_c [3.6130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HgPdBr]
_chemical_formula_sum '[Hg2 Pd2 Br2]'
_cell_volume [145.3093]
_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  2  0.1548  0.0000  0.7687  1
  Pd  Pd1  2  0.0404  0.5000  0.1659  1
  Br  Br2  2  0.3726  0.5000  0.9998  1
]