data_[Cs2Cd4In2Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8367]
_cell_length_b [7.0715]
_cell_length_c [10.7064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsCd2InHg8]
_chemical_formula_sum '[Cs2 Cd4 In2 Hg16]'
_cell_volume [736.0163]
_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  2  0.0000  0.5000  0.5000  1.0
  Cd  Cd1  4  0.1232  0.0000  0.7871  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  8  0.1473  0.2643  0.2444  1.0
  Hg  Hg4  4  0.1427  0.5000  0.9179  1.0
  Hg  Hg5  4  0.1474  0.0000  0.4935  1.0
]