data_BeNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   151.62
_cell_angle_beta   151.62
_cell_angle_gamma   40.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNi4
_chemical_formula_sum   'Be1 Ni4'
_cell_volume   58.35
_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
  Ni  Ni1  1  0.56  0.0  0.99  1.0
  Ni  Ni2  1  0.0  0.56  0.99  1.0
  Ni  Ni3  1  0.0  0.0  0.11  1.0
  Ni  Ni4  1  0.0  0.0  0.85  1.0

data_BeNi4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   110.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeNi4
_chemical_formula_sum   'Be2 Ni8'
_cell_volume   116.71
_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  0.28  0.28  0.57  1.0
  Ni  Ni2  2  0.0  0.0  0.15  1.0
  Ni  Ni3  2  0.0  0.0  0.89  1.0

Be Ni Ni Ni Ni
BeNi4 crystallizes in the monoclinic Cm space group. Be(1) is bonded in a linear geometry to one Ni(2) and one Ni(3) atom. The Be(1)-Ni(2) bond length is 0.67 Å. The Be(1)-Ni(3) bond length is 0.96 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to one Ni(2), one Ni(3), and four equivalent Ni(1) atoms. The Ni(1)-Ni(2) bond length is 2.16 Å. The Ni(1)-Ni(3) bond length is 2.83 Å. There are a spread of Ni(1)-Ni(1) bond distances ranging from 1.93-2.48 Å. In the second Ni site, Ni(2) is bonded in a single-bond geometry to one Be(1) and two equivalent Ni(1) atoms. In the third Ni site, Ni(3) is bonded in a single-bond geometry to one Be(1) and two equivalent Ni(1) atoms.