data_La5Mn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Mn3
_chemical_formula_sum   'La5 Mn3'
_cell_volume   224.88
_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
  La  La0  1  0.18  0.0  0.0  1.0
  La  La1  1  0.09  0.63  0.0  1.0
  La  La2  1  0.09  0.37  0.0  1.0
  La  La3  1  0.72  0.0  0.56  1.0
  La  La4  1  0.65  0.0  0.56  1.0
  Mn  Mn5  1  0.0  0.0  0.0  1.0
  Mn  Mn6  1  0.18  0.22  0.56  1.0
  Mn  Mn7  1  0.18  0.78  0.56  1.0

data_La5Mn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.11
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   103.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Mn3
_chemical_formula_sum   'La5 Mn3'
_cell_volume   224.88
_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
  La  La0  1  0.0  0.18  0.0  1.0
  La  La1  1  0.0  0.09  0.63  1.0
  La  La2  1  0.0  0.09  0.37  1.0
  La  La3  1  0.56  0.65  0.0  1.0
  La  La4  1  0.56  0.72  0.0  1.0
  Mn  Mn5  1  0.0  0.0  0.0  1.0
  Mn  Mn6  1  0.56  0.18  0.22  1.0
  Mn  Mn7  1  0.56  0.18  0.78  1.0

La La La La La Mn Mn Mn
La La La La La Mn Mn Mn 0 5 o o o 0 6 o o o 0 6 o o - 0 7 o - o 0 7 o - - 1 2 o o o 1 7 o o o 1 7 o o - 2 6 o o o 2 6 o o - 3 4 o o o 3 6 + o o 4 7 o - o 5 6 o o o 5 6 o o - 5 7 o - - 6 7 o - o 
La5Mn3 crystallizes in the triclinic P1 space group. There are five inequivalent La sites. In the first La site, La(1) is bonded in a single-bond geometry to one La(2), one Mn(1), one Mn(2), and one Mn(3) atom. The La(1)-La(2) bond length is 2.43 Å. The La(1)-Mn(1) bond length is 1.23 Å. The La(1)-Mn(2) bond length is 2.70 Å. The La(1)-Mn(3) bond length is 2.70 Å. In the second La site, La(2) is bonded in a 5-coordinate geometry to one La(1), one La(3), one Mn(1), and two equivalent Mn(3) atoms. The La(2)-La(3) bond length is 1.74 Å. The La(2)-Mn(1) bond length is 2.70 Å. There is one shorter (2.52 Å) and one longer (3.04 Å) La(2)-Mn(3) bond length. In the third La site, La(3) is bonded in a 4-coordinate geometry to one La(2), one Mn(1), and two equivalent Mn(2) atoms. The La(3)-Mn(1) bond length is 2.43 Å. There is one shorter (2.63 Å) and one longer (3.13 Å) La(3)-Mn(2) bond length. In the fourth La site, La(4) is bonded in a 4-coordinate geometry to one La(5), one Mn(2), and two equivalent Mn(1) atoms. The La(4)-La(5) bond length is 0.45 Å. The La(4)-Mn(2) bond length is 3.14 Å. There is one shorter (2.96 Å) and one longer (3.42 Å) La(4)-Mn(1) bond length. In the fifth La site, La(5) is bonded in a 2-coordinate geometry to one La(4) and one Mn(3) atom. The La(5)-Mn(3) bond length is 3.14 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one La(1), one La(2), one La(3), and two equivalent La(4) atoms. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one La(1), one La(4), and two equivalent La(3) atoms. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to one La(1), one La(5), and two equivalent La(2) atoms.