data_[Ca4Zn8Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.3201]
_cell_length_b [6.0662]
_cell_length_c [8.4272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca(ZnHg)2]
_chemical_formula_sum '[Ca4 Zn8 Hg8]'
_cell_volume [467.7183]
_cell_formula_units_Z [4]
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  4  0.0000  0.1483  0.2500  1.0
  Zn  Zn1  8  0.0572  0.3510  0.9387  1.0
  Hg  Hg2  8  0.2453  0.4620  0.8186  1.0
]