data_Y2BeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BeNi
_chemical_formula_sum   'Y2 Be1 Ni1'
_cell_volume   79.27
_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
  Y  Y2  1  0.71  0.71  0.06  1.0
  Y  Y3  1  0.71  0.71  0.7  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.38  1.0

data_Y2BeNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2BeNi
_chemical_formula_sum   'Y4 Be2 Ni2'
_cell_volume   158.53
_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
  Y  Y0  2  0.21  0.5  0.06  1.0
  Y  Y1  2  0.21  0.5  0.7  1.0
  Be  Be2  2  0.0  0.0  0.0  1.0
  Ni  Ni3  2  0.0  0.0  0.38  1.0

Y Y Be Ni
Y Y Be Ni 0 2 + + o 0 1 o o - 0 3 + + o 1 3 + + o 1 2 + + + 2 3 o o o 
BeY2Ni crystallizes in the monoclinic Cm space group. Be(1) is bonded in a distorted single-bond geometry to one Y(1), one Y(2), and one Ni(1) atom. The Be(1)-Y(1) bond length is 1.44 Å. The Be(1)-Y(2) bond length is 2.47 Å. The Be(1)-Ni(1) bond length is 2.55 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted single-bond geometry to one Be(1) and three equivalent Ni(1) atoms. There is one shorter (2.58 Å) and two longer (3.41 Å) Y(1)-Ni(1) bond lengths. In the second Y site, Y(2) is bonded in a 2-coordinate geometry to one Be(1) and three equivalent Ni(1) atoms. There is one shorter (2.58 Å) and two longer (3.41 Å) Y(2)-Ni(1) bond lengths. Ni(1) is bonded in a 7-coordinate geometry to one Be(1), three equivalent Y(1), and three equivalent Y(2) atoms.