data_[Sr4Cd6Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5220]
_cell_length_b [6.9313]
_cell_length_c [5.9588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Cd3Hg8]
_chemical_formula_sum '[Sr4 Cd6 Hg16]'
_cell_volume [714.9846]
_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
[
  Sr  Sr0  4  0.1849  0.0000  0.2817  1.0
  Cd  Cd1  4  0.0000  0.2154  0.0000  1.0
  Cd  Cd2  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  8  0.1367  0.2506  0.7547  1.0
  Hg  Hg4  4  0.0656  0.5000  0.3540  1.0
  Hg  Hg5  4  0.2114  0.5000  0.1698  1.0
]