data_La2MgFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   4.65
_cell_length_c   5.44
_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   91.52
_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  0.81  0.33  0.0  1.0
  La  La2  1  0.81  0.0  0.72  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.33  0.72  1.0

data_La2MgFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.65
_cell_length_c   5.44
_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   91.52
_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  0.81  0.0  0.72  1.0
  La  La1  1  0.81  0.33  0.0  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  0.0  0.33  0.72  1.0

La La Mg Fe
La La Mg Fe 0 2 + o o 0 3 + o - 1 2 + o + 1 3 + o o 
MgLa2Fe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgLa2Fe cluster. Mg(1) is bonded in a 2-coordinate geometry to two equivalent La(1,2) atoms. There is one shorter (1.67 Å) and one longer (1.68 Å) Mg(1)-La(1,2) bond length. La(1,2) is bonded in a 2-coordinate geometry to one Mg(1) and one Fe(1) atom. The La(1,2)-Fe(1) bond length is 1.68 Å. Fe(1) is bonded in a distorted L-shaped geometry to two equivalent La(1,2) atoms.