data_[Cd8Sn2Hg4]
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 [I4/mmm]
_cell_length_a [4.1826]
_cell_length_b [4.1826]
_cell_length_c [20.7833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cd4SnHg2]
_chemical_formula_sum '[Cd8 Sn2 Hg4]'
_cell_volume [363.5815]
_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  0.0000  0.1424  1.0
  Cd  Cd1  4  0.0000  0.5000  0.2500  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  4  0.0000  0.0000  0.4181  1.0
]