data_Mn2FeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   27.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeCl
_chemical_formula_sum   'Mn2 Fe1 Cl1'
_cell_volume   56.65
_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
  Mn  Mn2  1  0.0  0.0  0.71  1.0
  Mn  Mn3  1  0.5  0.0  0.05  1.0
  Fe  Fe1  1  0.5  0.0  0.58  1.0
  Cl  Cl0  1  0.0  0.0  0.57  1.0

data_Mn2FeCl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.06
_cell_length_b   3.0
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   103.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mn2FeCl
_chemical_formula_sum   'Mn2 Fe1 Cl1'
_cell_volume   56.65
_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
  Mn  Mn0  1  0.05  0.5  0.05  1.0
  Mn  Mn1  1  0.71  0.0  0.71  1.0
  Fe  Fe2  1  0.58  0.5  0.58  1.0
  Cl  Cl3  1  0.57  0.0  0.57  1.0

Mn Mn Fe Cl
Mn2FeCl crystallizes in the monoclinic Pm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to two equivalent Mn(2) and one Cl(1) atom. Both Mn(1)-Mn(2) bond lengths are 2.61 Å. The Mn(1)-Cl(1) bond length is 0.92 Å. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to two equivalent Mn(1), four equivalent Mn(2), and one Fe(1) atom. There are two shorter (3.00 Å) and two longer (3.06 Å) Mn(2)-Mn(2) bond lengths. The Mn(2)-Fe(1) bond length is 3.34 Å. Fe(1) is bonded in a distorted linear geometry to one Mn(2) and two equivalent Cl(1) atoms. Both Fe(1)-Cl(1) bond lengths are 1.50 Å. Cl(1) is bonded in a distorted single-bond geometry to one Mn(1) and two equivalent Fe(1) atoms.