data_[Cs4Sn4Hg4]
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 [Cm]
_cell_length_a [13.9703]
_cell_length_b [4.7780]
_cell_length_c [9.2116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.9586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsSnHg]
_chemical_formula_sum '[Cs4 Sn4 Hg4]'
_cell_volume [491.3344]
_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  2  0.1119  0.0000  0.2406  1.0
  Cs  Cs1  2  0.2560  0.0000  0.9444  1.0
  Sn  Sn2  2  0.0445  0.5000  0.5387  1.0
  Sn  Sn3  2  0.3865  0.5000  0.3977  1.0
  Hg  Hg4  2  0.3100  0.5000  0.6474  1.0
  Hg  Hg5  2  0.4904  0.0000  0.8095  1.0
]