data_LaMg2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   4.9
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   107.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2Fe
_chemical_formula_sum   'La1 Mg2 Fe1'
_cell_volume   85.08
_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  0.19  0.0  0.54  1.0
  Mg  Mg2  1  0.92  0.45  0.02  1.0
  Mg  Mg3  1  0.86  0.45  0.07  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_LaMg2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.9
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   107.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2Fe
_chemical_formula_sum   'La1 Mg2 Fe1'
_cell_volume   85.08
_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  0.19  0.0  0.54  1.0
  Mg  Mg1  1  0.86  0.45  0.07  1.0
  Mg  Mg2  1  0.92  0.45  0.02  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

La Mg Mg Fe
Mg2LaFe crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Mg(2) and two equivalent Fe(1) atoms. The Mg(1)-Mg(2) bond length is 0.37 Å. There is one shorter (2.24 Å) and one longer (2.71 Å) Mg(1)-Fe(1) bond length. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Mg(1) and two equivalent Fe(1) atoms. There is one shorter (2.32 Å) and one longer (2.77 Å) Mg(2)-Fe(1) bond length. La(1) is bonded in a 3-coordinate geometry to three equivalent Fe(1) atoms. There are a spread of La(1)-Fe(1) bond distances ranging from 2.70-3.08 Å. Fe(1) is bonded in a 7-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and three equivalent La(1) atoms.