data_[Cs4Hg4Ge4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4062]
_cell_length_b [8.9076]
_cell_length_c [9.2148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsHgGeTe3]
_chemical_formula_sum '[Cs4 Hg4 Ge4 Te12]'
_cell_volume [994.2812]
_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  0.1799  0.5000  0.2281  1.0
  Hg  Hg1  4  0.0000  0.2488  0.5000  1.0
  Ge  Ge2  4  0.0279  0.0000  0.1494  1.0
  Te  Te3  8  0.0854  0.2381  0.8223  1.0
  Te  Te4  4  0.2378  0.0000  0.3144  1.0
]