data_BeZnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   2.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnNi2
_chemical_formula_sum   'Be1 Zn1 Ni2'
_cell_volume   43.05
_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
  Zn  Zn3  1  0.62  0.0  0.0  1.0
  Ni  Ni1  1  0.31  0.54  0.33  1.0
  Ni  Ni2  1  0.31  0.46  0.33  1.0

data_BeZnNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.05
_cell_length_c   4.05
_cell_angle_alpha   99.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnNi2
_chemical_formula_sum   'Be1 Zn1 Ni2'
_cell_volume   43.05
_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
  Zn  Zn1  1  0.0  0.62  0.0  1.0
  Ni  Ni2  1  0.33  0.31  0.46  1.0
  Ni  Ni3  1  0.33  0.31  0.54  1.0

Be Zn Ni Ni
BeNi2Zn crystallizes in the triclinic P1 space group. Be(1) is bonded in a 5-coordinate geometry to one Ni(1), two equivalent Ni(2), and two equivalent Zn(1) atoms. The Be(1)-Ni(1) bond length is 2.57 Å. There is one shorter (2.26 Å) and one longer (2.73 Å) Be(1)-Ni(2) bond length. There is one shorter (1.52 Å) and one longer (2.52 Å) Be(1)-Zn(1) bond length. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted single-bond geometry to one Be(1), one Ni(2), and one Zn(1) atom. The Ni(1)-Ni(2) bond length is 0.32 Å. The Ni(1)-Zn(1) bond length is 2.26 Å. In the second Ni site, Ni(2) is bonded in a distorted single-bond geometry to two equivalent Be(1) and one Ni(1) atom. Zn(1) is bonded in a 2-coordinate geometry to two equivalent Be(1) and one Ni(1) atom.