data_[Cd2Hg4S2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [P-1]
_cell_length_a [6.8853]
_cell_length_b [7.3749]
_cell_length_c [7.5760]
_cell_angle_alpha [73.0282]
_cell_angle_beta [66.8929]
_cell_angle_gamma [63.5778]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CdHg2SO6]
_chemical_formula_sum '[Cd2 Hg4 S2 O12]'
_cell_volume [313.6465]
_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
[
  Cd  Cd0  2  0.3309  0.1298  0.2244  1.0
  Hg  Hg1  2  0.1575  0.3597  0.7830  1.0
  Hg  Hg2  2  0.3408  0.6365  0.2176  1.0
  S  S3  2  0.2076  0.8644  0.6949  1.0
  O  O4  2  0.0306  0.1113  0.1776  1.0
  O  O5  2  0.1495  0.4687  0.2669  1.0
  O  O6  2  0.2041  0.0608  0.5617  1.0
  O  O7  2  0.3100  0.6907  0.5848  1.0
  O  O8  2  0.3414  0.8251  0.8272  1.0
  O  O9  2  0.4513  0.1984  0.8638  1.0
]