data_NaMnGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnGa2
_chemical_formula_sum   'Na1 Mn1 Ga2'
_cell_volume   70.71
_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  Na3  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.0  0.0  0.11  1.0
  Ga  Ga0  1  0.47  0.47  0.43  1.0
  Ga  Ga1  1  0.47  0.47  0.8  1.0

data_NaMnGa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaMnGa2
_chemical_formula_sum   'Na2 Mn2 Ga4'
_cell_volume   141.41
_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  0.0  1.0
  Mn  Mn1  2  0.0  0.0  0.11  1.0
  Ga  Ga2  2  0.47  0.0  0.43  1.0
  Ga  Ga3  2  0.47  0.0  0.8  1.0

Na Mn Ga Ga
Na Mn Ga Ga 0 1 o o o 0 3 o o - 0 3 o - - 0 3 - o - 0 3 - - - 1 2 o o o 1 2 o - o 1 2 - o o 1 2 - - o 1 3 o o - 2 2 + o o 2 2 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
NaMnGa2 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a single-bond geometry to one Mn(1) and four equivalent Ga(2) atoms. The Na(1)-Mn(1) bond length is 0.92 Å. There are a spread of Na(1)-Ga(2) bond distances ranging from 2.55-2.77 Å. Mn(1) is bonded in a single-bond geometry to one Na(1) and four equivalent Ga(1) atoms. There are a spread of Mn(1)-Ga(1) bond distances ranging from 3.23-3.41 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Mn(1), one Ga(2), and four equivalent Ga(1) atoms. The Ga(1)-Ga(2) bond length is 3.04 Å. All Ga(1)-Ga(1) bond lengths are 2.93 Å. In the second Ga site, Ga(2) is bonded in a 4-coordinate geometry to four equivalent Na(1) and one Ga(1) atom.