data_BaMn2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Cr
_chemical_formula_sum   'Ba1 Mn2 Cr1'
_cell_volume   72.72
_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
  Ba  Ba0  1  0.0  0.0  0.77  1.0
  Mn  Mn2  1  0.55  0.55  0.07  1.0
  Mn  Mn3  1  0.55  0.55  0.48  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0

data_BaMn2Cr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMn2Cr
_chemical_formula_sum   'Ba2 Mn4 Cr2'
_cell_volume   145.45
_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
  Ba  Ba0  2  0.0  0.0  0.77  1.0
  Mn  Mn1  2  0.05  0.5  0.07  1.0
  Mn  Mn2  2  0.05  0.5  0.48  1.0
  Cr  Cr3  2  0.0  0.0  0.0  1.0

Ba Mn Mn Cr
BaCrMn2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a single-bond geometry to one Cr(1) and four equivalent Mn(2) atoms. The Ba(1)-Cr(1) bond length is 1.71 Å. There are a spread of Ba(1)-Mn(2) bond distances ranging from 2.96-3.28 Å. Cr(1) is bonded in a distorted single-bond geometry to one Ba(1) and four equivalent Mn(1) atoms. There are a spread of Cr(1)-Mn(1) bond distances ranging from 2.03-2.47 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to four equivalent Cr(1) and one Mn(2) atom. The Mn(1)-Mn(2) bond length is 3.13 Å. In the second Mn site, Mn(2) is bonded in a 9-coordinate geometry to four equivalent Ba(1), one Mn(1), and four equivalent Mn(2) atoms. All Mn(2)-Mn(2) bond lengths are 3.10 Å.