data_[Dy12Hg6C4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Hg  2.0000  1.5000  1.2450
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4734]
_cell_length_b [11.1643]
_cell_length_c [7.8886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy6Hg3C2S]
_chemical_formula_sum '[Dy12 Hg6 C4 S2]'
_cell_volume [549.0783]
_cell_formula_units_Z [2]
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
[
  Dy  Dy0  8  0.2409  0.1800  0.1881  1.0
  Dy  Dy1  4  0.2015  0.5000  0.1819  1.0
  Hg  Hg2  4  0.0000  0.1512  0.5000  1.0
  Hg  Hg3  2  0.0000  0.5000  0.5000  1.0
  C  C4  4  0.0000  0.3318  0.0000  1.0
  S  S5  2  0.0000  0.0000  0.0000  1.0
]