data_[K2Hg2Ge2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P2_1/m]
_cell_length_a [7.5210]
_cell_length_b [7.1423]
_cell_length_c [10.5888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KHgGeTe4]
_chemical_formula_sum '[K2 Hg2 Ge2 Te8]'
_cell_volume [546.2402]
_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
[
  K  K0  2  0.2022  0.2500  0.0355  1
  Hg  Hg1  2  0.2756  0.2500  0.6909  1
  Ge  Ge2  2  0.2394  0.7500  0.3021  1
  Te  Te3  4  0.0004  0.0227  0.2843  1
  Te  Te4  2  0.3745  0.7500  0.1005  1
  Te  Te5  2  0.4647  0.2500  0.4888  1
]