data_Ca2MnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.27
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2MnSb
_chemical_formula_sum   'Ca2 Mn1 Sb1'
_cell_volume   113.42
_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
  Ca  Ca0  1  0.0  0.0  0.25  1.0
  Ca  Ca1  1  0.04  0.13  0.87  1.0
  Mn  Mn2  1  0.0  0.0  0.2  1.0
  Sb  Sb3  1  0.04  0.13  0.94  1.0

data_Ca2MnSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.27
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2MnSb
_chemical_formula_sum   'Ca2 Mn1 Sb1'
_cell_volume   113.42
_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
  Ca  Ca0  1  0.0  0.0  0.25  1.0
  Ca  Ca1  1  0.04  0.13  0.87  1.0
  Mn  Mn2  1  0.0  0.0  0.2  1.0
  Sb  Sb3  1  0.04  0.13  0.94  1.0

Ca Ca Mn Sb
Ca2MnSb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ca2MnSb cluster. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a single-bond geometry to one Mn(1) atom. The Ca(1)-Mn(1) bond length is 0.32 Å. In the second Ca site, Ca(2) is bonded in a single-bond geometry to one Sb(1) atom. The Ca(2)-Sb(1) bond length is 0.46 Å. Mn(1) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Sb(1) atom. The Mn(1)-Sb(1) bond length is 1.78 Å. Sb(1) is bonded in a distorted single-bond geometry to one Ca(2) and one Mn(1) atom.