data_[Cd6In8Hg10]
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 [12.7300]
_cell_length_b [6.0330]
_cell_length_c [9.6010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd3In4Hg5]
_chemical_formula_sum '[Cd6 In8 Hg10]'
_cell_volume [642.0587]
_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  0.0005  0.5000  0.1705  1
  Cd  Cd1  2  0.0000  0.5000  0.5000  1
  In  In2  4  0.2474  0.0000  0.5086  1
  In  In3  4  0.2488  0.0000  0.1683  1
  Hg  Hg4  4  0.0038  0.0000  0.8341  1
  Hg  Hg5  4  0.2377  0.5000  0.1528  1
  Hg  Hg6  2  0.0000  0.0000  0.5000  1
]