data_[Cs4Sn2Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.3678]
_cell_length_b [7.3678]
_cell_length_c [12.1244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Cs2SnHg5]
_chemical_formula_sum '[Cs4 Sn2 Hg10]'
_cell_volume [658.1572]
_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
[
  Cs  Cs0  4  0.0000  0.5000  0.2373  1.0
  Sn  Sn1  2  0.0000  0.0000  0.0026  1.0
  Hg  Hg2  8  0.2106  0.2106  0.4921  1.0
  Hg  Hg3  2  0.0000  0.0000  0.2784  1.0
]