data_BeNbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNbW2
_chemical_formula_sum   'Be1 Nb1 W2'
_cell_volume   60.04
_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
  Be  Be0  1  0.0  0.0  0.84  1.0
  Nb  Nb1  1  0.6  0.6  0.28  1.0
  W  W2  1  0.0  0.0  0.07  1.0
  W  W3  1  0.6  0.6  0.61  1.0

data_BeNbW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeNbW2
_chemical_formula_sum   'Be2 Nb2 W4'
_cell_volume   120.08
_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
  Be  Be0  2  0.0  0.0  0.84  1.0
  Nb  Nb1  2  0.1  0.5  0.28  1.0
  W  W2  2  0.0  0.0  0.07  1.0
  W  W3  2  0.1  0.5  0.61  1.0

Be Nb W W
Be Nb W W 0 2 o o + 0 3 - - o 1 2 + + o 1 3 o o o 
BeNbW2 crystallizes in the monoclinic Cm space group. Be(1) is bonded in a 1-coordinate geometry to one W(1) and four equivalent W(2) atoms. The Be(1)-W(1) bond length is 1.33 Å. There are a spread of Be(1)-W(2) bond distances ranging from 2.25-3.03 Å. Nb(1) is bonded in a 5-coordinate geometry to one W(2) and four equivalent W(1) atoms. The Nb(1)-W(2) bond length is 1.95 Å. There are a spread of Nb(1)-W(1) bond distances ranging from 2.19-2.98 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 1-coordinate geometry to one Be(1) and four equivalent Nb(1) atoms. In the second W site, W(2) is bonded in a 5-coordinate geometry to four equivalent Be(1) and one Nb(1) atom.