data_Be2NiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.39
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NiSb
_chemical_formula_sum   'Be2 Ni1 Sb1'
_cell_volume   52.85
_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  0.18  1.0
  Be  Be1  1  0.56  0.69  0.25  1.0
  Ni  Ni2  1  0.0  0.0  0.32  1.0
  Sb  Sb3  1  0.56  0.69  0.75  1.0

data_Be2NiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.39
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NiSb
_chemical_formula_sum   'Be2 Ni1 Sb1'
_cell_volume   52.85
_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  0.18  1.0
  Be  Be1  1  0.56  0.69  0.25  1.0
  Ni  Ni2  1  0.0  0.0  0.32  1.0
  Sb  Sb3  1  0.56  0.69  0.75  1.0

Be Be Ni Sb
Be Be Ni Sb 0 2 o o o 0 1 o - o 0 1 - - o 0 3 o - - 0 3 - - - 1 2 o + o 1 2 + + o 1 3 o o o 1 3 o o - 2 3 o - o 2 3 - - o 3 3 + o o 
Be2NiSb crystallizes in the triclinic P1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a single-bond geometry to two equivalent Be(2) and one Ni(1) atom. There is one shorter (1.76 Å) and one longer (2.08 Å) Be(1)-Be(2) bond length. The Be(1)-Ni(1) bond length is 0.70 Å. In the second Be site, Be(2) is bonded in a 7-coordinate geometry to two equivalent Be(1), three equivalent Ni(1), and two equivalent Sb(1) atoms. There are a spread of Be(2)-Ni(1) bond distances ranging from 1.75-2.73 Å. There is one shorter (2.47 Å) and one longer (2.52 Å) Be(2)-Sb(1) bond length. Ni(1) is bonded in a single-bond geometry to one Be(1) and three equivalent Be(2) atoms. Sb(1) is bonded in a 2-coordinate geometry to two equivalent Be(2) atoms.