data_[Li4Dy4Hg4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Dy  1.2200  1.7500  1.1310
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.5614]
_cell_length_b [3.9921]
_cell_length_c [12.6382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiDyHgS3]
_chemical_formula_sum '[Li4 Dy4 Hg4 S12]'
_cell_volume [532.8621]
_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
[
  Li  Li0  4  0.1516  0.2500  0.4195  1
  Dy  Dy1  4  0.1182  0.2500  0.7386  1
  Hg  Hg2  4  0.1288  0.2500  0.1072  1
  S  S3  4  0.0986  0.7500  0.8875  1
  S  S4  4  0.1339  0.7500  0.2951  1
  S  S5  4  0.1444  0.7500  0.5839  1
]