data_BeNi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNi2As
_chemical_formula_sum   'Be1 Ni2 As1'
_cell_volume   44.42
_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  Be1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.83  0.65  1.0
  Ni  Ni3  1  0.83  0.0  0.65  1.0
  As  As0  1  0.83  0.83  0.0  1.0

data_BeNi2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeNi2As
_chemical_formula_sum   'Be2 Ni4 As2'
_cell_volume   88.84
_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
  Ni  Ni1  4  0.42  0.42  0.65  1.0
  As  As2  2  0.33  0.5  0.0  1.0

Be Ni Ni As
BeNi2As is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BeNi2As clusters. Be(1) is bonded in a single-bond geometry to two equivalent Ni(1) and one As(1) atom. Both Be(1)-Ni(1) bond lengths are 1.30 Å. The Be(1)-As(1) bond length is 0.87 Å. Ni(1) is bonded in a 3-coordinate geometry to one Be(1), one Ni(1), and one As(1) atom. The Ni(1)-Ni(1) bond length is 0.87 Å. The Ni(1)-As(1) bond length is 1.30 Å. As(1) is bonded in a single-bond geometry to one Be(1) and two equivalent Ni(1) atoms.