data_[Sc2Hg2S4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7568]
_cell_length_b [5.3711]
_cell_length_c [8.1399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ScHg(SO4)2]
_chemical_formula_sum '[Sc2 Hg2 S4 O16]'
_cell_volume [382.5066]
_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
[
  Sc  Sc0  2  0.0000  0.0000  0.0000  1
  Hg  Hg1  2  0.0000  0.0000  0.5000  1
  S  S2  4  0.1588  0.5000  0.2095  1
  O  O3  8  0.0613  0.2745  0.1772  1
  O  O4  4  0.2167  0.5000  0.3809  1
  O  O5  4  0.2169  0.0000  0.9096  1
]