data_[Cd8In10Hg4]
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 [11.4381]
_cell_length_b [6.5216]
_cell_length_c [9.3592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd4In5Hg2]
_chemical_formula_sum '[Cd8 In10 Hg4]'
_cell_volume [594.2018]
_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  0.2209  0.5000  0.4815  1.0
  Cd  Cd1  4  0.2325  0.5000  0.1440  1.0
  In  In2  8  0.0018  0.2385  0.1756  1.0
  In  In3  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  4  0.2128  0.5000  0.7889  1.0
]