data_[Cd4In2Sn4Hg8]
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 [16.8533]
_cell_length_b [3.7751]
_cell_length_c [8.5649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2In(SnHg2)2]
_chemical_formula_sum '[Cd4 In2 Sn4 Hg8]'
_cell_volume [472.9160]
_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  0.1722  0.5000  0.9930  1.0
  In  In1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.1359  0.0000  0.6381  1.0
  Hg  Hg3  4  0.0201  0.5000  0.3153  1.0
  Hg  Hg4  4  0.1985  0.0000  0.3187  1.0
]