data_BaBeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   91.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBeW2
_chemical_formula_sum   'Ba1 Be1 W2'
_cell_volume   82.56
_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  0.92  0.64  0.77  1.0
  Be  Be1  1  0.6  0.0  0.2  1.0
  W  W2  1  0.24  0.64  0.09  1.0
  W  W3  1  0.51  0.0  0.45  1.0

data_BaBeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   7.68
_cell_angle_alpha   91.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBeW2
_chemical_formula_sum   'Ba1 Be1 W2'
_cell_volume   82.56
_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  0.36  0.08  0.23  1.0
  Be  Be1  1  0.0  0.4  0.8  1.0
  W  W2  1  0.0  0.49  0.55  1.0
  W  W3  1  0.36  0.76  0.91  1.0

Ba Be W W
BaBeW2 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 2-coordinate geometry to one W(1) and one W(2) atom. The Ba(1)-W(1) bond length is 2.58 Å. The Ba(1)-W(2) bond length is 3.05 Å. Be(1) is bonded in a 2-coordinate geometry to one W(2) and three equivalent W(1) atoms. The Be(1)-W(2) bond length is 1.92 Å. There are a spread of Be(1)-W(1) bond distances ranging from 1.88-2.60 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 4-coordinate geometry to one Ba(1) and three equivalent Be(1) atoms. In the second W site, W(2) is bonded in a distorted single-bond geometry to one Ba(1) and one Be(1) atom.