data_[Sr8Hg4Ge4S20]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9029]
_cell_length_b [19.1641]
_cell_length_c [11.8561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2HgGeS5]
_chemical_formula_sum '[Sr8 Hg4 Ge4 S20]'
_cell_volume [886.7819]
_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  4  0.0000  0.1195  0.3050  1.0
  Sr  Sr1  4  0.0000  0.1244  0.6781  1.0
  Hg  Hg2  4  0.0000  0.2315  0.0395  1.0
  Ge  Ge3  4  0.0000  0.4376  0.4335  1.0
  S  S4  4  0.0000  0.0345  0.0409  1.0
  S  S5  4  0.0000  0.2881  0.6850  1.0
  S  S6  4  0.0000  0.3284  0.3765  1.0
  S  S7  4  0.0000  0.3610  0.9934  1.0
  S  S8  4  0.0000  0.4955  0.2719  1.0
]