data_Ba2MnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82
_cell_length_b   7.82
_cell_length_c   7.82
_cell_angle_alpha   145.76
_cell_angle_beta   145.76
_cell_angle_gamma   49.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MnCl
_chemical_formula_sum   'Ba2 Mn1 Cl1'
_cell_volume   150.63
_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  0.11  1.0
  Ba  Ba1  1  0.0  0.3  0.55  1.0
  Mn  Mn3  1  0.3  0.0  0.55  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_Ba2MnCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   7.82
_cell_angle_alpha   107.12
_cell_angle_beta   107.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MnCl
_chemical_formula_sum   'Ba2 Mn1 Cl1'
_cell_volume   150.63
_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  0.75  0.3  0.75  1.0
  Ba  Ba1  1  0.89  0.0  0.89  1.0
  Mn  Mn2  1  0.45  0.0  0.75  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ba Ba Mn Cl
Ba Ba Mn Cl 0 3 o o o 0 1 o o o 0 2 o o o 1 2 o o o 
Ba2MnCl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ba2MnCl cluster. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a single-bond geometry to one Mn(1) and one Cl(1) atom. The Ba(1)-Mn(1) bond length is 2.03 Å. The Ba(1)-Cl(1) bond length is 0.85 Å. In the second Ba site, Ba(2) is bonded in a 1-coordinate geometry to one Mn(1) atom. The Ba(2)-Mn(1) bond length is 1.96 Å. Mn(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Ba(2) atom. Cl(1) is bonded in a single-bond geometry to one Ba(1) atom.