data_CaMn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   4.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMn2Sb
_chemical_formula_sum   'Ca1 Mn2 Sb1'
_cell_volume   82.5
_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  0.0  1.0
  Mn  Mn1  1  0.0  0.19  0.14  1.0
  Mn  Mn2  1  0.19  0.0  0.14  1.0
  Sb  Sb3  1  0.19  0.19  0.0  1.0

data_CaMn2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   4.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaMn2Sb
_chemical_formula_sum   'Ca2 Mn4 Sb2'
_cell_volume   165.0
_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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  Mn  Mn1  4  0.1  0.1  0.14  1.0
  Sb  Sb2  2  0.19  0.0  -0.0  1.0

Ca Mn Mn Sb
Ca Mn Mn Sb 0 3 o o o 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 
CaMn2Sb is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaMn2Sb clusters. Ca(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one Sb(1) atom. Both Ca(1)-Mn(1) bond lengths are 1.05 Å. The Ca(1)-Sb(1) bond length is 1.21 Å. Mn(1) is bonded in a 2-coordinate geometry to one Ca(1) and one Sb(1) atom. The Mn(1)-Sb(1) bond length is 1.05 Å. Sb(1) is bonded in a 3-coordinate geometry to one Ca(1) and two equivalent Mn(1) atoms.