data_NaSr2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Re
_chemical_formula_sum   'Na1 Sr2 Re1'
_cell_volume   129.62
_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  0.0  0.04  1.0
  Sr  Sr2  1  0.0  0.0  0.34  1.0
  Sr  Sr3  1  0.9  0.9  0.7  1.0
  Re  Re1  1  0.9  0.9  0.43  1.0

data_NaSr2Re
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaSr2Re
_chemical_formula_sum   'Na2 Sr4 Re2'
_cell_volume   259.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.04  1.0
  Sr  Sr1  2  0.0  0.0  0.34  1.0
  Sr  Sr2  2  0.4  0.5  0.7  1.0
  Re  Re3  2  0.4  0.5  0.43  1.0

Na Sr Sr Re
NaSr2Re crystallizes in the monoclinic Cm space group. Na(1) is bonded to four equivalent Na(1), one Sr(1), and one Sr(2) atom to form a mixture of distorted edge and corner-sharing NaNa4Sr2 octahedra. The corner-sharing octahedra are not tilted. All Na(1)-Na(1) bond lengths are 3.79 Å. The Na(1)-Sr(1) bond length is 2.67 Å. The Na(1)-Sr(2) bond length is 3.12 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a single-bond geometry to one Na(1) and one Re(1) atom. The Sr(1)-Re(1) bond length is 1.02 Å. In the second Sr site, Sr(2) is bonded in a single-bond geometry to one Na(1) and one Re(1) atom. The Sr(2)-Re(1) bond length is 2.41 Å. Re(1) is bonded in a distorted single-bond geometry to one Sr(1) and one Sr(2) atom.