data_Na2ReMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ReMo
_chemical_formula_sum   'Na2 Re1 Mo1'
_cell_volume   89.22
_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  Na1  1  0.57  0.57  0.77  1.0
  Na  Na2  1  0.0  0.0  0.65  1.0
  Re  Re3  1  0.57  0.57  0.01  1.0
  Mo  Mo0  1  0.0  0.0  0.25  1.0

data_Na2ReMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2ReMo
_chemical_formula_sum   'Na4 Re2 Mo2'
_cell_volume   178.43
_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  0.65  1.0
  Na  Na1  2  0.07  0.5  0.77  1.0
  Re  Re2  2  0.07  0.5  0.01  1.0
  Mo  Mo3  2  0.0  0.0  0.25  1.0

Na Na Re Mo
Na Na Re Mo 0 1 o + o 0 1 + o o 0 1 + + o 0 1 o o o 0 2 o o + 1 3 o o o 2 3 + + o 2 3 + o o 2 3 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
Na2MoRe crystallizes in the monoclinic Cm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted single-bond geometry to four equivalent Na(2) and one Re(1) atom. There are a spread of Na(1)-Na(2) bond distances ranging from 2.21-2.75 Å. The Na(1)-Re(1) bond length is 2.15 Å. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to four equivalent Na(1) and one Mo(1) atom. The Na(2)-Mo(1) bond length is 3.61 Å. Mo(1) is bonded in a 9-coordinate geometry to one Na(2), four equivalent Mo(1), and four equivalent Re(1) atoms. All Mo(1)-Mo(1) bond lengths are 3.14 Å. There are a spread of Mo(1)-Re(1) bond distances ranging from 2.94-3.36 Å. Re(1) is bonded in a single-bond geometry to one Na(1) and four equivalent Mo(1) atoms.