data_NaMn2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   6.18
_cell_angle_alpha   94.8
_cell_angle_beta   94.8
_cell_angle_gamma   37.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2Si
_chemical_formula_sum   'Na1 Mn2 Si1'
_cell_volume   68.98
_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  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.07  0.0  0.01  1.0
  Mn  Mn1  1  0.55  0.0  0.14  1.0
  Si  Si3  1  0.81  0.0  0.08  1.0

data_NaMn2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.31
_cell_length_c   6.18
_cell_angle_alpha   94.8
_cell_angle_beta   90.0
_cell_angle_gamma   108.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2Si
_chemical_formula_sum   'Na1 Mn2 Si1'
_cell_volume   68.98
_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
  Mn  Mn1  1  0.0  0.45  0.86  1.0
  Mn  Mn2  1  0.0  0.93  0.99  1.0
  Si  Si3  1  0.0  0.19  0.92  1.0

Na Mn Mn Si
Na Mn Mn Si 0 1 o o o 0 3 - o o 2 3 o o o 
NaMn2Si crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaMn2Si cluster. Na(1) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one Si(1) atom. The Na(1)-Mn(1) bond length is 0.31 Å. The Na(1)-Si(1) bond length is 0.97 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one Na(1) atom. In the second Mn site, Mn(2) is bonded in a single-bond geometry to one Si(1) atom. The Mn(2)-Si(1) bond length is 1.22 Å. Si(1) is bonded in a distorted linear geometry to one Na(1) and one Mn(2) atom.