data_[Na8Hg4S8O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P2_1/c]
_cell_length_a [8.7146]
_cell_length_b [9.8757]
_cell_length_c [9.6841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2HgS2O7]
_chemical_formula_sum '[Na8 Hg4 S8 O28]'
_cell_volume [772.0934]
_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
[
  Na  Na0  4  0.1846  0.7387  0.1309  1
  Na  Na1  4  0.4866  0.5117  0.8104  1
  Hg  Hg2  4  0.2129  0.0804  0.8695  1
  S  S3  4  0.0520  0.0719  0.2018  1
  S  S4  4  0.4921  0.1960  0.9989  1
  O  O5  4  0.0305  0.1458  0.0619  1
  O  O6  4  0.0575  0.1655  0.3227  1
  O  O7  4  0.1875  0.5282  0.7443  1
  O  O8  4  0.2298  0.0046  0.6557  1
  O  O9  4  0.4003  0.6400  0.5770  1
  O  O10  4  0.4417  0.6560  0.3395  1
  O  O11  4  0.4781  0.1548  0.4832  1
]