data_[Hg8Ge8Te8O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [6.0058]
_cell_length_b [9.3020]
_cell_length_c [13.4997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [HgGeTeO]
_chemical_formula_sum '[Hg8 Ge8 Te8 O8]'
_cell_volume [754.1738]
_cell_formula_units_Z [8]
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  8  0.2389  0.6465  0.9448  1
  Ge  Ge1  8  0.2422  0.7459  0.2622  1
  Te  Te2  8  0.2413  0.6051  0.5789  1
  O  O3  8  0.0076  0.1315  0.2508  1
]