data_[Ca4Ag4Hg4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5199]
_cell_length_b [10.6885]
_cell_length_c [10.4872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaAgHgCl5]
_chemical_formula_sum '[Ca4 Ag4 Hg4 Cl20]'
_cell_volume [1032.1366]
_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  0.2500  0.2500  0.0000  1.0
  Ag  Ag1  4  0.0000  0.4536  0.2500  1.0
  Hg  Hg2  4  0.0000  0.0917  0.2500  1.0
  Cl  Cl3  8  0.1104  0.2768  0.1628  1.0
  Cl  Cl4  8  0.1971  0.0055  0.4786  1.0
  Cl  Cl5  4  0.0000  0.3130  0.7500  1.0
]