data_[Cs6Hg3Ge9I24]
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
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.9618]
_cell_length_b [8.9618]
_cell_length_c [28.7470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Cs2HgGe3I8]
_chemical_formula_sum '[Cs6 Hg3 Ge9 I24]'
_cell_volume [1999.4837]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1446  1.0
  Cs  Cs1  3  0.0000  0.0000  0.4993  1.0
  Hg  Hg2  3  0.0000  0.0000  0.8544  1.0
  Ge  Ge3  9  0.1718  0.3437  0.3320  1.0
  I  I4  9  0.0151  0.5075  0.2739  1.0
  I  I5  9  0.1761  0.3521  0.0590  1.0
  I  I6  3  0.0000  0.0000  0.2753  1.0
  I  I7  3  0.0000  0.0000  0.7246  1.0
]