data_[Cs8Hg8Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2392]
_cell_length_b [5.0843]
_cell_length_c [14.1858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Hg2Sb]
_chemical_formula_sum '[Cs8 Hg8 Sb4]'
_cell_volume [947.3841]
_cell_formula_units_Z [4]
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  0.1031  0.0000  0.8936  1.0
  Cs  Cs1  4  0.1996  0.5000  0.6216  1.0
  Hg  Hg2  4  0.0273  0.0000  0.4097  1.0
  Hg  Hg3  4  0.1207  0.5000  0.1295  1.0
  Sb  Sb4  4  0.0552  0.5000  0.3138  1.0
]