data_BeCr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35
_cell_length_b   8.35
_cell_length_c   8.35
_cell_angle_alpha   16.94
_cell_angle_beta   16.94
_cell_angle_gamma   16.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2Ni
_chemical_formula_sum   'Be1 Cr2 Ni1'
_cell_volume   43.11
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.21  1.0
  Cr  Cr2  1  0.0  0.0  0.48  1.0
  Ni  Ni3  1  0.0  0.0  0.34  1.0

data_BeCr2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.26
_cell_length_b   2.46
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   99.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeCr2Ni
_chemical_formula_sum   'Be2 Cr4 Ni2'
_cell_volume   86.23
_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
  Be  Be0  2  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.0  0.0  0.52  1.0
  Cr  Cr2  2  0.0  0.0  0.79  1.0
  Ni  Ni3  2  0.0  0.0  0.66  1.0

Be Cr Cr Ni
Be Cr Cr Ni 0 1 o o o 1 3 o o o 2 3 o o o 
BeCr2Ni is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BeCr2Ni clusters. Be(1) is bonded in a single-bond geometry to one Cr(1) atom. The Be(1)-Cr(1) bond length is 1.74 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted single-bond geometry to one Be(1) and one Ni(1) atom. The Cr(1)-Ni(1) bond length is 1.13 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to one Ni(1) atom. The Cr(2)-Ni(1) bond length is 1.13 Å. Ni(1) is bonded in a linear geometry to one Cr(1) and one Cr(2) atom.