data_LaMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.34
_cell_angle_alpha   116.17
_cell_angle_beta   116.17
_cell_angle_gamma   67.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2
_chemical_formula_sum   'La2 Mn4'
_cell_volume   125.42
_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
  La  La0  1  0.41  0.9  0.39  1.0
  La  La1  1  0.83  0.1  0.13  1.0
  Mn  Mn2  1  0.73  0.54  0.62  1.0
  Mn  Mn3  1  0.1  0.54  0.16  1.0
  Mn  Mn4  1  0.14  0.46  0.36  1.0
  Mn  Mn5  1  0.52  0.46  0.9  1.0

data_LaMn2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.34
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   67.82
_cell_angle_beta   63.83
_cell_angle_gamma   63.83
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaMn2
_chemical_formula_sum   'La2 Mn4'
_cell_volume   125.42
_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
  La  La0  2  0.13  0.21  0.1  1.0
  Mn  Mn1  2  0.1  0.48  0.54  1.0
  Mn  Mn2  2  0.36  0.9  0.46  1.0

La La Mn Mn Mn Mn
La La Mn Mn Mn Mn 0 4 o o o 0 4 o + o 0 3 o o o 0 1 - + o 0 5 o o - 0 5 o + o 0 2 o o o 1 2 o - - 1 2 o o o 1 5 o o - 1 3 + - o 1 3 + o o 1 4 + o o 2 5 o o o 2 4 o o o 2 4 + o o 2 3 + o + 3 4 o o o 3 5 o o - 3 5 - o - 4 5 o o o 
LaMn2 crystallizes in the triclinic P-1 space group. La(1) is bonded in a 6-coordinate geometry to one La(1), two equivalent Mn(2), and three equivalent Mn(1) atoms. The La(1)-La(1) bond length is 2.85 Å. There is one shorter (2.62 Å) and one longer (2.94 Å) La(1)-Mn(2) bond length. There are a spread of La(1)-Mn(1) bond distances ranging from 2.46-3.15 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to three equivalent La(1) atoms. In the second Mn site, Mn(2) is bonded in a 1-coordinate geometry to two equivalent La(1) and one Mn(2) atom. The Mn(2)-Mn(2) bond length is 1.17 Å.