data_[Cs4Sr4Hg4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  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 [9.6351]
_cell_length_b [13.0446]
_cell_length_c [10.5231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsSrHgCl5]
_chemical_formula_sum '[Cs4 Sr4 Hg4 Cl20]'
_cell_volume [1215.9279]
_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
[
  Cs  Cs0  4  0.0000  0.3396  0.7500  1.0
  Sr  Sr1  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.0000  0.3151  0.2500  1.0
  Cl  Cl3  8  0.1066  0.2085  0.1067  1.0
  Cl  Cl4  8  0.1828  0.4357  0.4325  1.0
  Cl  Cl5  4  0.0000  0.0781  0.7500  1.0
]