data_Na5ReO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   100.37
_cell_angle_beta   100.37
_cell_angle_gamma   118.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na5ReO6
_chemical_formula_sum   'Na5 Re1 O6'
_cell_volume   139.3
_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
  Na  Na0  1  0.84  0.2  0.59  1.0
  Na  Na1  1  0.84  0.8  0.59  1.0
  Na  Na2  1  0.82  0.69  0.0  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Na  Na4  1  0.82  0.31  0.0  1.0
  Re  Re11  1  0.84  0.0  0.59  1.0
  O  O5  1  0.4  0.0  0.5  1.0
  O  O6  1  0.07  0.65  0.47  1.0
  O  O7  1  0.07  0.35  0.47  1.0
  O  O8  1  0.61  0.65  0.71  1.0
  O  O9  1  0.61  0.35  0.71  1.0
  O  O10  1  0.28  0.0  0.68  1.0

data_Na5ReO6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   118.86
_cell_angle_beta   100.37
_cell_angle_gamma   100.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na5ReO6
_chemical_formula_sum   'Na5 Re1 O6'
_cell_volume   139.3
_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
  Na  Na0  1  -0.0  0.82  0.31  1.0
  Na  Na1  1  -0.0  0.82  0.69  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Na  Na3  1  0.59  0.84  0.2  1.0
  Na  Na4  1  0.59  0.84  0.8  1.0
  Re  Re5  1  0.59  0.84  0.0  1.0
  O  O6  1  0.47  0.07  0.65  1.0
  O  O7  1  0.47  0.07  0.35  1.0
  O  O8  1  0.5  0.4  0.0  1.0
  O  O9  1  0.68  0.28  0.0  1.0
  O  O10  1  0.71  0.61  0.35  1.0
  O  O11  1  0.71  0.61  0.65  1.0

Na Na Na Na Na Re O O O O O O
Na5ReO6 crystallizes in the triclinic P1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one Re(1), one O(1), one O(3), and one O(5) atom. The Na(1)-Re(1) bond length is 1.10 Å. The Na(1)-O(1) bond length is 2.03 Å. The Na(1)-O(3) bond length is 1.50 Å. The Na(1)-O(5) bond length is 1.98 Å. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one Na(4), one Re(1), one O(2), one O(4), and one O(6) atom. The Na(2)-Na(4) bond length is 2.15 Å. The Na(2)-Re(1) bond length is 1.10 Å. The Na(2)-O(2) bond length is 1.98 Å. The Na(2)-O(4) bond length is 1.50 Å. The Na(2)-O(6) bond length is 2.03 Å. In the third Na site, Na(3) is bonded in a 2-coordinate geometry to one Na(4), one O(4), and one O(5) atom. The Na(3)-Na(4) bond length is 1.50 Å. The Na(3)-O(4) bond length is 1.70 Å. The Na(3)-O(5) bond length is 1.90 Å. In the fourth Na site, Na(4) is bonded in a 7-coordinate geometry to one Na(2), one Na(3), one Na(5), one Re(1), one O(3), one O(4), and one O(6) atom. The Na(4)-Na(5) bond length is 2.36 Å. The Na(4)-Re(1) bond length is 2.29 Å. The Na(4)-O(3) bond length is 2.79 Å. The Na(4)-O(4) bond length is 2.14 Å. The Na(4)-O(6) bond length is 2.56 Å. In the fifth Na site, Na(5) is bonded in a distorted single-bond geometry to one Na(4), one O(5), and one O(6) atom. The Na(5)-O(5) bond length is 1.93 Å. The Na(5)-O(6) bond length is 2.68 Å. Re(1) is bonded in a linear geometry to one Na(1), one Na(2), one Na(4), and one O(6) atom. The Re(1)-O(6) bond length is 2.38 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one O(6) atom. The O(1)-O(6) bond length is 1.29 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(2) and one O(6) atom. The O(2)-O(6) bond length is 1.74 Å. In the third O site, O(3) is bonded in a single-bond geometry to one Na(1) and one Na(4) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Na(2), one Na(3), and one Na(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), one Na(5), and one O(6) atom. The O(5)-O(6) bond length is 1.88 Å. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Na(2), one Na(4), one Na(5), one Re(1), one O(1), one O(2), and one O(5) atom.