data_[Hg4Ge4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/c]
_cell_length_a [8.7654]
_cell_length_b [6.7327]
_cell_length_c [12.0313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.2658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HgGeTe2]
_chemical_formula_sum '[Hg4 Ge4 Te8]'
_cell_volume [525.4442]
_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
[
  Hg  Hg0  4  0.1338  0.5717  0.2781  1
  Ge  Ge1  4  0.4619  0.1689  0.3532  1
  Te  Te2  4  0.0407  0.2245  0.1134  1
  Te  Te3  4  0.4916  0.2429  0.6111  1
]