data_BaTaBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.99
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTaBe2
_chemical_formula_sum   'Ba1 Ta1 Be2'
_cell_volume   74.17
_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
  Ba  Ba0  1  0.46  0.0  0.55  1.0
  Ta  Ta3  1  0.46  0.49  0.0  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.0  0.49  0.55  1.0

data_BaTaBe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.92
_cell_length_b   4.99
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaTaBe2
_chemical_formula_sum   'Ba1 Ta1 Be2'
_cell_volume   74.17
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ba  Ba0  1  0.46  0.0  0.55  1.0
  Ta  Ta1  1  0.46  0.5  -0.0  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Be  Be3  1  0.0  0.5  0.55  1.0

Ba Ta Be Be
BaBe2Ta crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent Be(1), four equivalent Be(2), and four equivalent Ta(1) atoms. There are a spread of Ba(1)-Be(1) bond distances ranging from 2.67-3.21 Å. There are a spread of Ba(1)-Be(2) bond distances ranging from 2.80-2.98 Å. There are a spread of Ba(1)-Ta(1) bond distances ranging from 3.37-3.76 Å. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ba(1) and four equivalent Ta(1) atoms. There are a spread of Be(1)-Ta(1) bond distances ranging from 2.80-2.98 Å. In the second Be site, Be(2) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Ta(1) atoms. There are a spread of Be(2)-Ta(1) bond distances ranging from 2.67-3.21 Å. Ta(1) is bonded in a 14-coordinate geometry to four equivalent Ba(1), four equivalent Be(1), four equivalent Be(2), and two equivalent Ta(1) atoms. Both Ta(1)-Ta(1) bond lengths are 2.92 Å.