data_InNi2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65
_cell_length_b   7.65
_cell_length_c   7.65
_cell_angle_alpha   24.68
_cell_angle_beta   24.68
_cell_angle_gamma   24.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNi2Br
_chemical_formula_sum   'In1 Ni2 Br1'
_cell_volume   68.59
_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
  In  In1  1  0.0  0.0  0.12  1.0
  Ni  Ni2  1  0.0  0.0  0.59  1.0
  Ni  Ni3  1  0.0  0.0  0.64  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_InNi2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.66
_cell_length_b   3.27
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   104.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InNi2Br
_chemical_formula_sum   'In2 Ni4 Br2'
_cell_volume   137.19
_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
  In  In0  2  0.0  0.0  0.88  1.0
  Ni  Ni1  2  0.0  0.0  0.36  1.0
  Ni  Ni2  2  0.0  0.0  0.41  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

In Ni Ni Br
Ni2InBr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ni2InBr clusters. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to one Ni(2) atom. The Ni(1)-Ni(2) bond length is 0.33 Å. In the second Ni site, Ni(2) is bonded in a distorted linear geometry to one Ni(1) and one Br(1) atom. The Ni(2)-Br(1) bond length is 2.77 Å. In(1) is bonded in a single-bond geometry to one Br(1) atom. The In(1)-Br(1) bond length is 0.89 Å. Br(1) is bonded in a single-bond geometry to one Ni(2) and one In(1) atom.