data_[Cs8Hg2]
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
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [9.3689]
_cell_length_b [11.0211]
_cell_length_c [9.4544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Cs4Hg]
_chemical_formula_sum '[Cs8 Hg2]'
_cell_volume [926.8106]
_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  4  0.2450  0.3773  0.0018  1.0
  Cs  Cs1  4  0.2536  0.1233  0.4942  1.0
  Hg  Hg2  2  0.5000  0.3739  0.7500  1.0
]