data_LaMg2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   5.02
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   106.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2Mn
_chemical_formula_sum   'La1 Mg2 Mn1'
_cell_volume   83.69
_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  0.25  0.0  0.6  1.0
  Mg  Mg1  1  0.86  0.51  0.09  1.0
  Mg  Mg2  1  0.85  0.51  0.12  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0

data_LaMg2Mn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.2
_cell_length_b   5.02
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   106.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaMg2Mn
_chemical_formula_sum   'La1 Mg2 Mn1'
_cell_volume   83.69
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.25  0.0  0.6  1.0
  Mg  Mg1  1  0.85  0.5  0.12  1.0
  Mg  Mg2  1  0.86  0.5  0.09  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0

La Mg Mg Mn
Mg2LaMn crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one Mg(2) and two equivalent Mn(1) atoms. The Mg(1)-Mg(2) bond length is 0.16 Å. There is one shorter (2.58 Å) and one longer (2.66 Å) Mg(1)-Mn(1) bond length. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Mg(1) atom. La(1) is bonded in a 3-coordinate geometry to three equivalent Mn(1) atoms. There are a spread of La(1)-Mn(1) bond distances ranging from 2.49-3.15 Å. Mn(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1) and three equivalent La(1) atoms.