data_[Cd4Sn2Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4157]
_cell_length_b [6.4021]
_cell_length_c [8.6338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cd2SnHg4]
_chemical_formula_sum '[Cd4 Sn2 Hg8]'
_cell_volume [373.9020]
_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  2  0.1897  0.7500  0.9169  1.0
  Cd  Cd1  2  0.3097  0.7500  0.3594  1.0
  Sn  Sn2  2  0.2707  0.2500  0.3392  1.0
  Hg  Hg3  4  0.4341  0.0040  0.7809  1.0
  Hg  Hg4  2  0.0033  0.2500  0.5219  1.0
  Hg  Hg5  2  0.1077  0.2500  0.9299  1.0
]