data_[Cs4Hg5Pd2]
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
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.2858]
_cell_length_b [5.5016]
_cell_length_c [9.8888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cs4Hg5Pd2]
_chemical_formula_sum '[Cs4 Hg5 Pd2]'
_cell_volume [450.6332]
_cell_formula_units_Z [1]
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  0.2196  0.5000  0.1473  1.0
  Cs  Cs1  2  0.2367  0.5000  0.6112  1.0
  Hg  Hg2  2  0.1214  0.0000  0.8690  1.0
  Hg  Hg3  2  0.3917  0.0000  0.3662  1.0
  Hg  Hg4  1  0.5000  0.0000  0.0000  1.0
  Pd  Pd5  2  0.0556  0.0000  0.3738  1.0
]