data_Li2MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.43
_cell_angle_alpha   93.07
_cell_angle_beta   93.07
_cell_angle_gamma   58.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MnF4
_chemical_formula_sum   'Li4 Mn2 F8'
_cell_volume   162.36
_cell_formula_units_Z   2
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
  Li  Li0  1  1.0  0.14  0.53  1.0
  Li  Li1  1  0.83  0.86  0.25  1.0
  Li  Li2  1  0.19  0.14  0.18  1.0
  Li  Li3  1  0.02  0.86  0.89  1.0
  Mn  Mn4  1  0.09  0.07  0.36  1.0
  Mn  Mn5  1  0.93  0.93  0.07  1.0
  F  F6  1  0.68  0.76  0.07  1.0
  F  F7  1  0.51  0.24  0.78  1.0
  F  F8  1  0.85  0.67  0.23  1.0
  F  F9  1  0.69  0.33  0.94  1.0
  F  F10  1  0.33  0.67  0.48  1.0
  F  F11  1  0.16  0.33  0.19  1.0
  F  F12  1  0.51  0.76  0.64  1.0
  F  F13  1  0.34  0.24  0.35  1.0

data_Li2MnF4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.43
_cell_length_b   5.78
_cell_length_c   5.93
_cell_angle_alpha   119.19
_cell_angle_beta   93.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Li2MnF4
_chemical_formula_sum   'Li4 Mn2 F8'
_cell_volume   162.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Li  Li0  2  0.18  0.86  0.37  1.0
  Li  Li1  2  0.47  0.14  0.81  1.0
  Mn  Mn2  2  0.36  0.93  0.35  1.0
  F  F3  2  0.07  0.24  0.24  1.0
  F  F4  2  0.23  0.33  0.51  1.0
  F  F5  2  0.36  0.76  0.93  1.0
  F  F6  2  0.48  0.33  0.99  1.0

Li Li Li Li Mn Mn F F F F F F F F
Li Li Li Li Mn Mn F F F F F F F F 0 4 + o o 1 8 o o o 1 5 o o o 2 11 o o o 2 4 o o o 3 5 - o + 6 8 o o o 7 9 o o o 10 12 o o o 11 13 o o o 
Li2MnF4 is Cubic alpha N2-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Li2MnF4 clusters. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one Mn(1) and one F(4) atom. The Li(1)-Mn(1) bond length is 1.09 Å. The Li(1)-F(4) bond length is 2.43 Å. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one Mn(1), one F(1), and one F(3) atom. The Li(2)-Mn(1) bond length is 1.32 Å. The Li(2)-F(1) bond length is 1.58 Å. The Li(2)-F(3) bond length is 1.08 Å. Mn(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one F(4) atom. The Mn(1)-F(4) bond length is 2.16 Å. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 1-coordinate geometry to one Li(2) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one F(4) atom. The F(2)-F(4) bond length is 1.62 Å. In the third F site, F(3) is bonded in a single-bond geometry to one Li(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one F(2) atom.