data_[Cd4In2Hg8]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5492]
_cell_length_b [6.7448]
_cell_length_c [8.6526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cd2InHg4]
_chemical_formula_sum '[Cd4 In2 Hg8]'
_cell_volume [376.3096]
_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  0.2546  0.2500  0.0290  1.0
  Cd  Cd1  2  0.4995  0.7500  0.4987  1.0
  In  In2  2  0.2220  0.7500  0.0413  1.0
  Hg  Hg3  4  0.3893  0.5023  0.7710  1.0
  Hg  Hg4  2  0.0457  0.7500  0.3509  1.0
  Hg  Hg5  2  0.0602  0.2500  0.3200  1.0
]