data_[Cd4In10Hg24]
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 [15.6700]
_cell_length_b [8.6630]
_cell_length_c [7.8523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2In5Hg12]
_chemical_formula_sum '[Cd4 In10 Hg24]'
_cell_volume [1062.2867]
_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  0.0000  0.3078  0.0000  1.0
  In  In1  4  0.1791  0.5000  0.0857  1.0
  In  In2  4  0.2344  0.0000  0.4866  1.0
  In  In3  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  8  0.1041  0.2571  0.3472  1.0
  Hg  Hg5  8  0.1963  0.2597  0.7843  1.0
  Hg  Hg6  4  0.0549  0.5000  0.6709  1.0
  Hg  Hg7  4  0.0762  0.0000  0.8800  1.0
]