data_[Re3Hg1O9]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [7.4397]
_cell_length_b [7.4397]
_cell_length_c [3.7894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Re3HgO9]
_chemical_formula_sum '[Re3 Hg1 O9]'
_cell_volume [181.6406]
_cell_formula_units_Z [1]
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  3  0.0000  0.5000  0.5038  1.0
  Hg  Hg1  1  0.0000  0.0000  0.2560  1.0
  O  O2  6  0.2126  0.4252  0.4983  1.0
  O  O3  3  0.0000  0.5000  0.0016  1.0
]