data_[Cd2In4Sn2Hg16]
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 [11.5830]
_cell_length_b [6.3479]
_cell_length_c [9.5387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5316]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdIn2SnHg8]
_chemical_formula_sum '[Cd2 In4 Sn2 Hg16]'
_cell_volume [687.1996]
_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  0.0000  0.5000  0.5000  1.0
  In  In1  4  0.2345  0.0000  0.8915  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  8  0.1007  0.2503  0.2757  1.0
  Hg  Hg4  4  0.1452  0.0000  0.5653  1.0
  Hg  Hg5  4  0.1538  0.5000  0.7957  1.0
]