data_La5Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   14.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Fe
_chemical_formula_sum   'La5 Fe1'
_cell_volume   190.56
_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  La1  1  0.79  0.79  0.65  1.0
  La  La2  1  0.0  0.0  0.79  1.0
  La  La3  1  0.79  0.79  0.42  1.0
  La  La4  1  0.0  0.0  0.04  1.0
  La  La5  1  0.79  0.79  0.18  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_La5Fe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   14.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La5Fe
_chemical_formula_sum   'La10 Fe2'
_cell_volume   381.12
_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
  La  La0  2  0.0  0.0  0.04  1.0
  La  La1  2  0.0  0.0  0.79  1.0
  La  La2  2  0.29  0.5  0.18  1.0
  La  La3  2  0.29  0.5  0.42  1.0
  La  La4  2  0.29  0.5  0.65  1.0
  Fe  Fe5  2  0.0  0.0  0.0  1.0

La La La La La Fe
La5Fe crystallizes in the monoclinic Cm space group. There are four inequivalent La sites. In the first La site, La(1,5) is bonded in a distorted single-bond geometry to one La(2) and one La(3) atom. The La(1,5)-La(2) bond length is 2.38 Å. The La(1,5)-La(3) bond length is 3.45 Å. In the second La site, La(2) is bonded in a distorted bent 150 degrees geometry to one La(1,5) and one Fe(1) atom. The La(2)-Fe(1) bond length is 3.07 Å. In the third La site, La(3) is bonded to two equivalent La(1,5) and four equivalent La(3) atoms to form a mixture of corner and edge-sharing LaLa6 octahedra. The corner-sharing octahedra are not tilted. All La(3)-La(3) bond lengths are 3.58 Å. In the fourth La site, La(4) is bonded in a single-bond geometry to one La(1,5) and one Fe(1) atom. The La(4)-La(1,5) bond length is 2.38 Å. The La(4)-Fe(1) bond length is 0.60 Å. Fe(1) is bonded in a single-bond geometry to one La(2) and one La(4) atom.