data_[Hg4Mo8O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6919]
_cell_length_b [2.7516]
_cell_length_c [11.0012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.5796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg(MoO2)2]
_chemical_formula_sum '[Hg4 Mo8 O16]'
_cell_volume [352.4555]
_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
[
  Hg  Hg0  4  0.0974  0.5000  0.1456  1
  Mo  Mo1  4  0.1438  0.5000  0.4987  1
  Mo  Mo2  4  0.1455  0.0000  0.8260  1
  O  O3  4  0.0219  0.5000  0.6809  1
  O  O4  4  0.1679  0.0000  0.6536  1
  O  O5  4  0.1693  0.5000  0.9803  1
  O  O6  4  0.1778  0.0000  0.3913  1
]