data_CsSr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsSr2Ni
_chemical_formula_sum   'Cs1 Sr2 Ni1'
_cell_volume   146.98
_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  0.19  0.19  0.19  1.0
  Sr  Sr2  1  0.09  0.09  0.09  1.0
  Sr  Sr3  1  0.28  0.28  0.28  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0

data_CsSr2Ni
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   14.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CsSr2Ni
_chemical_formula_sum   'Cs3 Sr6 Ni3'
_cell_volume   440.94
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.81  1.0
  Sr  Sr1  3  0.0  0.0  0.72  1.0
  Sr  Sr2  3  0.0  0.0  0.91  1.0
  Ni  Ni3  3  0.0  0.0  0.0  1.0

Cs Sr Sr Ni
Cs Sr Sr Ni 0 1 o o o 0 2 o o o 1 3 o o o 
CsSr2Ni is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three CsSr2Ni clusters. Cs(1) is bonded in a linear geometry to one Sr(1) and one Sr(2) atom. The Cs(1)-Sr(1) bond length is 1.37 Å. The Cs(1)-Sr(2) bond length is 1.37 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted linear geometry to one Cs(1) and one Ni(1) atom. The Sr(1)-Ni(1) bond length is 1.37 Å. In the second Sr site, Sr(2) is bonded in a distorted single-bond geometry to one Cs(1) atom. Ni(1) is bonded in a single-bond geometry to one Sr(1) atom.