data_[Hg3Mo3S6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Mo  2.1600  1.4500  0.7750
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.9410]
_cell_length_b [4.9410]
_cell_length_c [25.2442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [HgMo(SO4)2]
_chemical_formula_sum '[Hg3 Mo3 S6 O24]'
_cell_volume [533.7225]
_cell_formula_units_Z [3]
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  3  -0.0000  0.0000  0.5000  1.0
  Mo  Mo1  3  0.0000  0.0000  0.0000  1.0
  S  S2  6  0.0000  0.0000  0.2614  1.0
  O  O3  18  0.0218  0.7264  0.7185  1.0
  O  O4  6  0.0000  0.0000  0.2028  1.0
]