data_ReHgO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   7.0
_cell_angle_alpha   44.59
_cell_angle_beta   44.59
_cell_angle_gamma   44.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReHgO3
_chemical_formula_sum   'Re2 Hg2 O6'
_cell_volume   153.51
_cell_formula_units_Z   2
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  Re8  1  0.0  0.0  0.77  1.0
  Re  Re9  1  0.0  0.0  0.1  1.0
  Hg  Hg0  1  0.0  0.0  0.21  1.0
  Hg  Hg1  1  0.0  0.0  0.66  1.0
  O  O2  1  0.96  0.78  0.47  1.0
  O  O3  1  0.06  0.01  0.47  1.0
  O  O4  1  0.98  0.21  0.47  1.0
  O  O5  1  0.02  0.79  0.4  1.0
  O  O6  1  0.94  0.99  0.4  1.0
  O  O7  1  0.04  0.22  0.4  1.0

data_ReHgO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   7.0
_cell_angle_alpha   67.7
_cell_angle_beta   67.7
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ReHgO3
_chemical_formula_sum   'Re2 Hg2 O6'
_cell_volume   153.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.16  0.34  1.0
  Hg  Hg1  2  0.0  0.28  0.22  1.0
  O  O2  2  0.01  0.54  0.89  1.0
  O  O3  2  0.21  0.54  0.78  1.0
  O  O4  2  0.22  0.46  0.78  1.0

Re Re Hg Hg O O O O O O