data_BaMn2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   132.29
_cell_angle_beta   132.29
_cell_angle_gamma   69.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Cr
_chemical_formula_sum   'Ba1 Mn2 Cr1'
_cell_volume   91.43
_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  0.55  1.0
  Mn  Mn2  1  0.24  0.0  0.27  1.0
  Mn  Mn3  1  0.0  0.24  0.27  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   6.34
_cell_length_b   6.34
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   124.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMn2Cr
_chemical_formula_sum   'Ba2 Mn4 Cr2'
_cell_volume   182.87
_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  0.55  1.0
  Mn  Mn1  4  0.38  0.38  0.03  1.0
  Cr  Cr2  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 5-coordinate geometry to one Cr(1) and four equivalent Mn(1) atoms. The Ba(1)-Cr(1) bond length is 2.51 Å. There are two shorter (2.62 Å) and two longer (3.37 Å) Ba(1)-Mn(1) bond lengths. Cr(1) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Mn(1) atoms. Both Cr(1)-Mn(1) bond lengths are 1.17 Å. Mn(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Cr(1) atom.