data_[Re1Si1Hg1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.0221]
_cell_length_b [5.0221]
_cell_length_c [5.0654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [ReSiHgO6]
_chemical_formula_sum '[Re1 Si1 Hg1 O6]'
_cell_volume [110.6387]
_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
[
  Si  Si0  1  0.0000  0.0000  0.5000  1
  Re  Re1  1  0.3333  0.6667  0.5000  1
  Hg  Hg2  1  0.6667  0.3333  0.0000  1
  O  O3  6  0.0408  0.3154  0.7017  1
]