data_[Cs6Hg8Sb4]
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 [13.3079]
_cell_length_b [5.3720]
_cell_length_c [10.7909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3(Hg2Sb)2]
_chemical_formula_sum '[Cs6 Hg8 Sb4]'
_cell_volume [759.9321]
_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  0.1137  0.5000  0.3817  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.0955  0.0000  0.6409  1.0
  Hg  Hg3  4  0.2310  0.5000  0.0853  1.0
  Sb  Sb4  4  0.2067  0.5000  0.7933  1.0
]