data_BaBeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   9.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBeW2
_chemical_formula_sum   'Ba1 Be1 W2'
_cell_volume   76.94
_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  0.73  0.0  0.52  1.0
  Be  Be1  1  0.0  0.0  0.84  1.0
  W  W2  1  0.73  0.0  0.17  1.0
  W  W3  1  0.0  0.0  0.5  1.0

data_BaBeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   9.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBeW2
_chemical_formula_sum   'Ba1 Be1 W2'
_cell_volume   76.94
_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  0.73  0.0  0.52  1.0
  Be  Be1  1  0.0  0.0  0.84  1.0
  W  W2  1  0.0  0.0  0.5  1.0
  W  W3  1  0.73  0.0  0.17  1.0

Ba Be W W
Ba Be W W 0 3 + o o 0 1 + o o 0 2 o o o 1 1 + + o 1 1 o + o 1 1 + o o 1 2 - o + 1 3 o o o 2 2 + + o 2 2 o + o 2 2 + o o 2 3 + o o 
BaBeW2 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a distorted single-bond geometry to one Be(1), one W(1), and one W(2) atom. The Ba(1)-Be(1) bond length is 3.03 Å. The Ba(1)-W(1) bond length is 3.29 Å. The Ba(1)-W(2) bond length is 0.82 Å. Be(1) is bonded in a 3-coordinate geometry to one Ba(1), one W(1), and one W(2) atom. The Be(1)-W(1) bond length is 3.24 Å. The Be(1)-W(2) bond length is 3.10 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one Ba(1), one Be(1), and four equivalent W(1) atoms. All W(1)-W(1) bond lengths are 2.94 Å. In the second W site, W(2) is bonded in a distorted single-bond geometry to one Ba(1) and one Be(1) atom.