data_[Y20Hg8H4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9298]
_cell_length_b [17.6073]
_cell_length_c [12.6431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y5Hg2HS]
_chemical_formula_sum '[Y20 Hg8 H4 S4]'
_cell_volume [874.8224]
_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
[
  Y  Y0  4  0.0000  0.0397  0.0143  1.0
  Y  Y1  4  0.0000  0.3064  0.3737  1.0
  Y  Y2  4  0.0000  0.3068  0.6693  1.0
  Y  Y3  4  0.0000  0.3526  0.0180  1.0
  Y  Y4  4  0.0000  0.4984  0.2678  1.0
  Hg  Hg5  4  0.0000  0.1223  0.3343  1.0
  Hg  Hg6  4  0.0000  0.1260  0.7024  1.0
  H  H7  4  0.0000  0.4315  0.4233  1.0
  S  S8  4  0.0000  0.1975  0.0209  1.0
]