data_[Y1Hg1S1O6]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6453]
_cell_length_b [5.7232]
_cell_length_c [5.8154]
_cell_angle_alpha [72.6046]
_cell_angle_beta [83.8984]
_cell_angle_gamma [88.3111]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [YHgSO6]
_chemical_formula_sum '[Y1 Hg1 S1 O6]'
_cell_volume [146.7021]
_cell_formula_units_Z [1]
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  1  0.5179  0.1634  0.3996  1
  Hg  Hg1  1  0.9432  0.0203  0.8682  1
  S  S2  1  0.5535  0.5471  0.8023  1
  O  O3  1  0.0013  0.1434  0.4917  1
  O  O4  1  0.4019  0.4256  0.0485  1
  O  O5  1  0.4444  0.8060  0.7205  1
  O  O6  1  0.4672  0.4149  0.6338  1
  O  O7  1  0.8045  0.9350  0.2248  1
  O  O8  1  0.8659  0.5441  0.8107  1
]