data_NaRe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe2As
_chemical_formula_sum   'Na1 Re2 As1'
_cell_volume   67.01
_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  0.0  0.0  0.0  1.0
  Re  Re2  1  0.96  0.53  0.25  1.0
  Re  Re3  1  0.64  0.53  0.81  1.0
  As  As0  1  0.3  0.0  0.53  1.0

data_NaRe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe2As
_chemical_formula_sum   'Na1 Re2 As1'
_cell_volume   67.01
_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  0.0  1.0
  Re  Re1  1  0.04  0.75  0.47  1.0
  Re  Re2  1  0.36  0.19  0.47  1.0
  As  As3  1  0.7  0.47  0.0  1.0

Na Re Re As
Na Re Re As 0 2 - - - 0 2 - o - 0 2 o - - 0 1 - - o 0 1 - o o 0 3 - o - 0 3 o o - 0 3 o o o 0 3 - o o 0 0 + o o 1 2 o o - 1 2 o o o 1 2 + o - 1 1 + o o 1 3 + o o 1 3 + + o 1 3 o + o 2 3 o o o 2 3 o + o 2 3 + + o 2 2 + o o 3 3 + o o 
NaRe2As crystallizes in the triclinic P1 space group. Na(1) is bonded in a 12-coordinate geometry to two equivalent Na(1), two equivalent Re(1), four equivalent Re(2), and four equivalent As(1) atoms. Both Na(1)-Na(1) bond lengths are 2.62 Å. There is one shorter (2.70 Å) and one longer (2.99 Å) Na(1)-Re(1) bond length. There are a spread of Na(1)-Re(2) bond distances ranging from 2.73-3.32 Å. There are a spread of Na(1)-As(1) bond distances ranging from 2.51-3.25 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 2-coordinate geometry to two equivalent Na(1) atoms. In the second Re site, Re(2) is bonded in a 1-coordinate geometry to four equivalent Na(1) atoms. As(1) is bonded in a 2-coordinate geometry to four equivalent Na(1) atoms.