data_MgMnFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44
_cell_length_b   8.44
_cell_length_c   8.44
_cell_angle_alpha   17.59
_cell_angle_beta   17.59
_cell_angle_gamma   17.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnFe2
_chemical_formula_sum   'Mg1 Mn1 Fe2'
_cell_volume   47.99
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.0  0.0  0.47  1.0
  Fe  Fe0  1  0.0  0.0  0.04  1.0
  Fe  Fe1  1  0.0  0.0  0.89  1.0

data_MgMnFe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   2.58
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   100.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgMnFe2
_chemical_formula_sum   'Mg2 Mn2 Fe4'
_cell_volume   95.99
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Mn  Mn1  2  0.0  0.0  0.53  1.0
  Fe  Fe2  2  0.0  0.0  0.11  1.0
  Fe  Fe3  2  0.0  0.0  0.96  1.0

Mg Mn Fe Fe
MgMnFe2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a linear geometry to one Fe(1) and one Fe(2) atom. The Mg(1)-Fe(1) bond length is 0.36 Å. The Mg(1)-Fe(2) bond length is 0.90 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six Mn(1,1); one Fe(1); and one Fe(2) atom to form a mixture of corner and edge-sharing MnMn6Fe2 hexagonal bipyramids. All Mn(1)-Mn(1,1) bond lengths are 2.58 Å. The Mn(1)-Fe(1) bond length is 3.59 Å. The Mn(1)-Fe(2) bond length is 3.59 Å. In the second Mn site, Mn(1) is bonded to six Mn(1,1); one Fe(1); and one Fe(2) atom to form a mixture of corner and edge-sharing MnMn6Fe2 hexagonal bipyramids. Both Mn(1)-Mn(1) bond lengths are 2.58 Å. The Mn(1)-Fe(1) bond length is 3.59 Å. The Mn(1)-Fe(2) bond length is 3.59 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Mg(1) and one Mn(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Mg(1) and one Mn(1) atom.