data_Cr2BiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   154.87
_cell_angle_beta   145.22
_cell_angle_gamma   43.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2BiSb
_chemical_formula_sum   'Cr2 Bi1 Sb1'
_cell_volume   85.76
_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
  Cr  Cr1  1  0.0  0.0  0.95  1.0
  Cr  Cr2  1  0.54  0.0  0.34  1.0
  Bi  Bi0  1  0.0  0.12  0.4  1.0
  Sb  Sb3  1  0.0  0.0  0.47  1.0

data_Cr2BiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.23
_cell_length_c   7.08
_cell_angle_alpha   107.39
_cell_angle_beta   102.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2BiSb
_chemical_formula_sum   'Cr2 Bi1 Sb1'
_cell_volume   85.76
_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
  Cr  Cr0  1  0.0  0.34  0.8  1.0
  Cr  Cr1  1  0.0  0.95  0.95  1.0
  Bi  Bi2  1  0.88  0.29  0.29  1.0
  Sb  Sb3  1  0.0  0.47  0.47  1.0

Cr Cr Bi Sb
Cr Cr Bi Sb 0 1 - o o 0 1 o o + 0 2 o o + 1 3 + o o 2 3 o o o 
Cr2BiSb crystallizes in the triclinic P1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 1-coordinate geometry to two equivalent Cr(2) and one Bi(1) atom. There is one shorter (2.22 Å) and one longer (2.50 Å) Cr(1)-Cr(2) bond length. The Cr(1)-Bi(1) bond length is 2.46 Å. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to two equivalent Cr(1), two equivalent Cr(2), and one Sb(1) atom. Both Cr(2)-Cr(2) bond lengths are 3.08 Å. The Cr(2)-Sb(1) bond length is 2.57 Å. Bi(1) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Sb(1) atom. The Bi(1)-Sb(1) bond length is 1.25 Å. Sb(1) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one Bi(1) atom.