data_[Ca2Cd8Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [9.3866]
_cell_length_b [9.3866]
_cell_length_c [6.2428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [CaCd4Hg5]
_chemical_formula_sum '[Ca2 Cd8 Hg10]'
_cell_volume [550.0454]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.1716  1.0
  Cd  Cd1  8  0.1002  0.2905  0.4595  1.0
  Hg  Hg2  8  0.0925  0.2996  0.9573  1.0
  Hg  Hg3  2  0.0000  0.0000  0.6715  1.0
]