data_[Cd4Hg9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [8.5949]
_cell_length_b [8.5949]
_cell_length_c [20.1270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Cd4Hg9]
_chemical_formula_sum '[Cd4 Hg9]'
_cell_volume [1287.6276]
_cell_formula_units_Z [1]
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  3  0.0000  0.2157  0.4534  1
  Cd  Cd1  1  0.0000  0.0000  0.3301  1
  Hg  Hg2  6  0.2080  0.7884  0.5849  1
  Hg  Hg3  3  0.0000  0.5668  0.4335  1
]