data_[Sr12Hg20Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9765]
_cell_length_b [13.5037]
_cell_length_c [7.2190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3685]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr3Hg5Ge2]
_chemical_formula_sum '[Sr12 Hg20 Ge8]'
_cell_volume [1133.3766]
_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
[
  Sr  Sr0  8  0.1326  0.3273  0.5499  1.0
  Sr  Sr1  4  0.0000  0.0916  0.7500  1.0
  Hg  Hg2  8  0.1503  0.2985  0.0312  1.0
  Hg  Hg3  8  0.2333  0.0342  0.6685  1.0
  Hg  Hg4  4  0.0000  0.4776  0.7500  1.0
  Ge  Ge5  8  0.0997  0.1330  0.2585  1.0
]