data_NaMn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   3.21
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   91.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2Ru
_chemical_formula_sum   'Na1 Mn2 Ru1'
_cell_volume   62.24
_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  Na2  1  0.48  0.0  0.62  1.0
  Mn  Mn0  1  0.14  0.0  0.17  1.0
  Mn  Mn1  1  0.23  0.6  0.19  1.0
  Ru  Ru3  1  0.17  0.6  0.03  1.0

data_NaMn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   3.21
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   91.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2Ru
_chemical_formula_sum   'Na1 Mn2 Ru1'
_cell_volume   62.24
_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  0.48  0.0  0.62  1.0
  Mn  Mn1  1  0.14  0.0  0.17  1.0
  Mn  Mn2  1  0.23  0.6  0.19  1.0
  Ru  Ru3  1  0.17  0.6  0.03  1.0

Na Mn Mn Ru
NaMn2Ru crystallizes in the triclinic P1 space group. Na(1) is bonded in a 11-coordinate geometry to four equivalent Na(1), two equivalent Mn(1), two equivalent Mn(2), and three equivalent Ru(1) atoms. There are two shorter (2.64 Å) and two longer (3.21 Å) Na(1)-Na(1) bond lengths. There is one shorter (3.38 Å) and one longer (3.74 Å) Na(1)-Mn(1) bond length. There is one shorter (3.44 Å) and one longer (3.74 Å) Na(1)-Mn(2) bond length. There are a spread of Na(1)-Ru(1) bond distances ranging from 3.39-3.71 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), two equivalent Mn(2), and two equivalent Ru(1) atoms. There is one shorter (1.30 Å) and one longer (1.96 Å) Mn(1)-Mn(2) bond length. There is one shorter (1.65 Å) and one longer (2.21 Å) Mn(1)-Ru(1) bond length. In the second Mn site, Mn(2) is bonded in a single-bond geometry to two equivalent Na(1), two equivalent Mn(1), and one Ru(1) atom. The Mn(2)-Ru(1) bond length is 1.20 Å. Ru(1) is bonded in a distorted single-bond geometry to three equivalent Na(1), one Mn(2), and two equivalent Mn(1) atoms.