data_[Hg2W2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.2986]
_cell_length_b [6.5469]
_cell_length_c [5.1221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.9619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [HgWO4]
_chemical_formula_sum '[Hg2 W2 O8]'
_cell_volume [176.3722]
_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
[
  Hg  Hg0  2  0.5000  0.3056  0.7500  1.0
  W  W1  2  0.0000  0.1503  0.2500  1.0
  O  O2  4  0.1954  0.0880  0.9612  1.0
  O  O3  4  0.2332  0.3377  0.4084  1.0
]