data_Cr2NiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2NiSb
_chemical_formula_sum   'Cr2 Ni1 Sb1'
_cell_volume   55.6
_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  0.0  0.23  1.0
  Cr  Cr1  1  0.59  0.59  0.27  1.0
  Ni  Ni2  1  0.0  0.0  0.72  1.0
  Sb  Sb3  1  0.59  0.59  0.04  1.0

data_Cr2NiSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2NiSb
_chemical_formula_sum   'Cr4 Ni2 Sb2'
_cell_volume   111.21
_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
  Cr  Cr0  2  0.0  0.0  0.23  1.0
  Cr  Cr1  2  0.09  0.5  0.27  1.0
  Ni  Ni2  2  0.0  0.0  0.72  1.0
  Sb  Sb3  2  0.09  0.5  0.04  1.0

Cr Cr Ni Sb
Cr Cr Ni Sb 0 3 - - o 0 1 - - o 0 1 - o o 0 1 o - o 0 2 o o o 0 2 o o - 1 3 o o o 1 2 + + o 1 2 + o o 1 2 o + o 2 3 - - + 2 3 - o + 2 3 o - + 2 3 o o + 2 2 + o o 2 2 o + o 
Cr2NiSb crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 10-coordinate geometry to four equivalent Cr(2), two equivalent Ni(1), and four equivalent Sb(1) atoms. There are a spread of Cr(1)-Cr(2) bond distances ranging from 1.87-2.65 Å. There is one shorter (2.74 Å) and one longer (2.78 Å) Cr(1)-Ni(1) bond length. There are a spread of Cr(1)-Sb(1) bond distances ranging from 2.11-2.83 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to four equivalent Cr(1), one Ni(1), and one Sb(1) atom. The Cr(2)-Ni(1) bond length is 3.09 Å. The Cr(2)-Sb(1) bond length is 1.27 Å. Ni(1) is bonded in a 7-coordinate geometry to one Cr(2), two equivalent Cr(1), and four equivalent Sb(1) atoms. There are a spread of Ni(1)-Sb(1) bond distances ranging from 2.55-3.17 Å. Sb(1) is bonded in a single-bond geometry to one Cr(2), four equivalent Cr(1), and four equivalent Ni(1) atoms.