data_[Hf4Hg4Ge4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.6721]
_cell_length_b [8.8810]
_cell_length_c [7.9459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HfHgGeO5]
_chemical_formula_sum '[Hf4 Hg4 Ge4 O20]'
_cell_volume [477.7120]
_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
[
  Hf  Hf0  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg1  4  0.0000  0.3164  0.7500  1.0
  Ge  Ge2  4  0.0000  0.3352  0.2500  1.0
  O  O3  8  0.0451  0.2210  0.0939  1.0
  O  O4  8  0.1920  0.4690  0.3737  1.0
  O  O5  4  0.0000  0.0753  0.7500  1.0
]