data_Cs3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58
_cell_length_b   7.58
_cell_length_c   7.58
_cell_angle_alpha   129.72
_cell_angle_beta   129.72
_cell_angle_gamma   73.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs3Ni
_chemical_formula_sum   'Cs3 Ni1'
_cell_volume   250.88
_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
  Cs  Cs0  1  0.0  0.22  0.03  1.0
  Cs  Cs1  1  0.22  0.0  0.03  1.0
  Cs  Cs2  1  0.0  0.0  0.06  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Cs3Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   9.1
_cell_length_b   9.1
_cell_length_c   7.58
_cell_angle_alpha   90.0
_cell_angle_beta   126.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cs3Ni
_chemical_formula_sum   'Cs6 Ni2'
_cell_volume   501.76
_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
  Cs  Cs0  4  0.39  0.39  0.81  1.0
  Cs  Cs1  2  0.0  0.0  0.06  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0

Cs Cs Cs Ni
Cs Cs Cs Ni 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 
Cs3Ni is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Cs3Ni clusters. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a single-bond geometry to one Ni(1) atom. The Cs(1)-Ni(1) bond length is 1.53 Å. In the second Cs site, Cs(2) is bonded in a single-bond geometry to one Ni(1) atom. The Cs(2)-Ni(1) bond length is 0.43 Å. Ni(1) is bonded in a distorted single-bond geometry to one Cs(2) and two equivalent Cs(1) atoms.