data_CaCrSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   143.22
_cell_angle_beta   135.67
_cell_angle_gamma   58.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCrSb2
_chemical_formula_sum   'Ca1 Cr1 Sb2'
_cell_volume   94.07
_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  0.44  1.0
  Cr  Cr1  1  0.0  0.3  0.04  1.0
  Sb  Sb2  1  0.0  0.0  0.22  1.0
  Sb  Sb3  1  0.92  0.0  0.54  1.0

data_CaCrSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.6
_cell_length_c   6.1
_cell_angle_alpha   112.16
_cell_angle_beta   108.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCrSb2
_chemical_formula_sum   'Ca1 Cr1 Sb2'
_cell_volume   94.07
_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  0.44  0.44  1.0
  Cr  Cr1  1  0.7  0.74  0.74  1.0
  Sb  Sb2  1  0.0  0.22  0.22  1.0
  Sb  Sb3  1  0.0  0.54  0.62  1.0

Ca Cr Sb Sb
CaCrSb2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaCrSb2 cluster. Ca(1) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one Sb(2) atom. The Ca(1)-Sb(1) bond length is 1.35 Å. The Ca(1)-Sb(2) bond length is 0.99 Å. Cr(1) is bonded in a distorted single-bond geometry to one Sb(2) atom. The Cr(1)-Sb(2) bond length is 1.64 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted single-bond geometry to one Ca(1) atom. In the second Sb site, Sb(2) is bonded in a distorted single-bond geometry to one Ca(1) and one Cr(1) atom.