data_Y2TaBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TaBe
_chemical_formula_sum   'Y2 Ta1 Be1'
_cell_volume   87.58
_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  0.63  0.63  0.38  1.0
  Y  Y3  1  0.63  0.63  0.84  1.0
  Ta  Ta1  1  0.0  0.0  0.11  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_Y2TaBe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2TaBe
_chemical_formula_sum   'Y4 Ta2 Be2'
_cell_volume   175.16
_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  0.13  0.5  0.38  1.0
  Y  Y1  2  0.13  0.5  0.84  1.0
  Ta  Ta2  2  0.0  0.0  0.11  1.0
  Be  Be3  2  0.0  0.0  0.0  1.0

Y Y Ta Be
Y Y Ta Be 0 2 o o o 0 2 o + o 0 2 + o o 0 2 + + o 0 0 + o o 0 0 o + o 0 3 + + o 0 1 o o o 1 3 + + + 2 3 o o o 
BeY2Ta crystallizes in the monoclinic Cm space group. Be(1) is bonded in a 1-coordinate geometry to one Y(2) and one Ta(1) atom. The Be(1)-Y(2) bond length is 2.17 Å. The Be(1)-Ta(1) bond length is 0.90 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 9-coordinate geometry to one Y(2), four equivalent Y(1), and four equivalent Ta(1) atoms. The Y(1)-Y(2) bond length is 3.73 Å. All Y(1)-Y(1) bond lengths are 3.26 Å. There are a spread of Y(1)-Ta(1) bond distances ranging from 2.82-3.68 Å. In the second Y site, Y(2) is bonded in a 1-coordinate geometry to one Be(1) and one Y(1) atom. Ta(1) is bonded in a single-bond geometry to one Be(1) and four equivalent Y(1) atoms.