data_[Ca2Cd10Hg8]
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 [9.2991]
_cell_length_b [9.2991]
_cell_length_c [6.3297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [CaCd5Hg4]
_chemical_formula_sum '[Ca2 Cd10 Hg8]'
_cell_volume [547.3508]
_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  0.2148  1.0
  Cd  Cd1  8  0.0918  0.2942  0.9437  1.0
  Cd  Cd2  2  0.0000  0.0000  0.7176  1.0
  Hg  Hg3  8  0.0946  0.2881  0.4507  1.0
]