data_BaMn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2As
_chemical_formula_sum   'Ba1 Mn2 As1'
_cell_volume   98.15
_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  Ba1  1  0.28  0.28  0.0  1.0
  Mn  Mn2  1  0.28  0.0  0.35  1.0
  Mn  Mn3  1  0.0  0.28  0.35  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_BaMn2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMn2As
_chemical_formula_sum   'Ba2 Mn4 As2'
_cell_volume   196.31
_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  0.28  0.0  0.0  1.0
  Mn  Mn1  4  0.14  0.14  0.35  1.0
  As  As2  2  0.0  0.0  0.0  1.0

Ba Mn Mn As
Ba Mn Mn As 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 
BaMn2As is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaMn2As clusters. Ba(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one As(1) atom. Both Ba(1)-Mn(1) bond lengths are 2.11 Å. The Ba(1)-As(1) bond length is 1.83 Å. Mn(1) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(1), and one As(1) atom. The Mn(1)-Mn(1) bond length is 1.83 Å. The Mn(1)-As(1) bond length is 2.11 Å. As(1) is bonded in a 1-coordinate geometry to one Ba(1) and two equivalent Mn(1) atoms.