data_[Cd10In2Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [12.9101]
_cell_length_b [3.8239]
_cell_length_c [10.4598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd5InHg4]
_chemical_formula_sum '[Cd10 In2 Hg8]'
_cell_volume [490.6202]
_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
[
  Cd  Cd0  4  0.1033  0.0000  0.3049  1
  Cd  Cd1  4  0.2052  0.5000  0.1016  1
  Cd  Cd2  2  0.0000  0.5000  0.5000  1
  In  In3  2  0.0000  0.0000  0.0000  1
  Hg  Hg4  4  0.0953  0.5000  0.8012  1
  Hg  Hg5  4  0.1986  0.0000  0.6019  1
]