data_La2MgFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MgFe
_chemical_formula_sum   'La2 Mg1 Fe1'
_cell_volume   100.15
_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  0.75  0.75  0.75  1.0
  La  La2  1  0.75  0.75  0.41  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.08  1.0

data_La2MgFe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2MgFe
_chemical_formula_sum   'La4 Mg2 Fe2'
_cell_volume   200.3
_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  0.25  0.5  0.41  1.0
  La  La1  2  0.25  0.5  0.75  1.0
  Mg  Mg2  2  0.0  0.0  0.0  1.0
  Fe  Fe3  2  0.0  0.0  0.08  1.0

La La Mg Fe
La La Mg Fe 0 1 o o o 0 2 + + + 1 1 + o o 1 1 o + o 1 3 + + o 1 2 + + o 2 3 o o o 
MgLa2Fe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgLa2Fe clusters. Mg(1) is bonded in a single-bond geometry to one La(1) and one Fe(1) atom. The Mg(1)-La(1) bond length is 2.37 Å. The Mg(1)-Fe(1) bond length is 0.68 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted single-bond geometry to one Mg(1) atom. In the second La site, La(2) is bonded in a distorted single-bond geometry to one Fe(1) atom. The La(2)-Fe(1) bond length is 2.97 Å. Fe(1) is bonded in a single-bond geometry to one Mg(1) and one La(2) atom.