data_[Cd6In4Sn2Hg12]
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
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1145]
_cell_length_b [15.1703]
_cell_length_c [7.2310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd3In2SnHg6]
_chemical_formula_sum '[Cd6 In4 Sn2 Hg12]'
_cell_volume [638.9222]
_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  0.3293  0.5000  1.0
  Cd  Cd1  2  0.0000  0.0000  0.5000  1.0
  In  In2  4  0.0000  0.3368  0.0000  1.0
  Sn  Sn3  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  8  0.0035  0.1665  0.2528  1.0
  Hg  Hg5  4  0.0017  0.5000  0.2634  1.0
]