data_[Cs4Sn2Hg4Te8]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6080]
_cell_length_b [4.8015]
_cell_length_c [9.0104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sn(HgTe2)2]
_chemical_formula_sum '[Cs4 Sn2 Hg4 Te8]'
_cell_volume [720.2845]
_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  0.1312  0.0000  0.5703  1.0
  Sn  Sn1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.1638  0.5000  0.9729  1.0
  Te  Te3  4  0.0082  0.5000  0.7577  1.0
  Te  Te4  4  0.1963  0.0000  0.1706  1.0
]