data_[Re4Hg4Cl4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3479]
_cell_length_b [7.9513]
_cell_length_c [8.2378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ReHgClO4]
_chemical_formula_sum '[Re4 Hg4 Cl4 O16]'
_cell_volume [641.5276]
_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
[
  Re  Re0  4  0.1199  0.5000  0.3074  1.0
  Hg  Hg1  4  0.1989  0.0000  0.1618  1.0
  Cl  Cl2  4  0.0645  0.0000  0.8339  1.0
  O  O3  8  0.1893  0.3218  0.2643  1.0
  O  O4  4  0.0570  0.5000  0.8411  1.0
  O  O5  4  0.1561  0.5000  0.5456  1.0
]