data_Li2LaMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.52
_cell_length_b   10.52
_cell_length_c   10.52
_cell_angle_alpha   15.87
_cell_angle_beta   15.87
_cell_angle_gamma   15.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaMn
_chemical_formula_sum   'Li2 La1 Mn1'
_cell_volume   75.82
_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
  Li  Li1  1  0.0  0.0  0.87  1.0
  Li  Li2  1  0.0  0.0  0.28  1.0
  La  La0  1  0.0  0.0  0.58  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0

data_Li2LaMn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.03
_cell_length_b   2.9
_cell_length_c   10.52
_cell_angle_alpha   90.0
_cell_angle_beta   99.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2LaMn
_chemical_formula_sum   'Li4 La2 Mn2'
_cell_volume   151.64
_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
  Li  Li0  2  -0.0  0.0  0.13  1.0
  Li  Li1  2  0.0  0.0  0.72  1.0
  La  La2  2  -0.0  0.0  0.42  1.0
  Mn  Mn3  2  -0.0  0.0  0.0  1.0

Li Li La Mn
Li2LaMn crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one La(1) and one Mn(1) atom. The Li(1)-La(1) bond length is 3.08 Å. The Li(1)-Mn(1) bond length is 1.38 Å. In the second Li site, Li(2) is bonded in a 8-coordinate geometry to six equivalent Li(2), one La(1), and one Mn(1) atom. All Li(2)-Li(2) bond lengths are 2.90 Å. The Li(2)-La(1) bond length is 3.08 Å. The Li(2)-Mn(1) bond length is 2.98 Å. La(1) is bonded to one Li(1), one Li(2), and six equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing LaLi2La6 hexagonal bipyramids. All La(1)-La(1) bond lengths are 2.90 Å. Mn(1) is bonded in a single-bond geometry to one Li(1) and one Li(2) atom.