data_[Cs3In12Sn6Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4066]
_cell_length_b [5.4066]
_cell_length_c [32.2328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CsIn4Sn2Hg]
_chemical_formula_sum '[Cs3 In12 Sn6 Hg3]'
_cell_volume [815.9717]
_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  0.0000  1.0
  In  In1  6  0.0000  0.0000  0.1342  1.0
  In  In2  6  0.0000  0.0000  0.4083  1.0
  Sn  Sn3  6  0.0000  0.0000  0.2319  1.0
  Hg  Hg4  3  -0.0000  -0.0000  0.5000  1.0
]