data_Ti2BeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BeW
_chemical_formula_sum   'Ti2 Be1 W1'
_cell_volume   58.81
_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
  Ti  Ti1  1  0.35  0.35  0.78  1.0
  Ti  Ti2  1  0.0  0.0  0.99  1.0
  Be  Be0  1  0.0  0.0  0.02  1.0
  W  W3  1  0.35  0.35  0.33  1.0

data_Ti2BeW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2BeW
_chemical_formula_sum   'Ti4 Be2 W2'
_cell_volume   117.62
_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
  Ti  Ti0  2  0.0  0.0  0.99  1.0
  Ti  Ti1  2  0.35  0.0  0.78  1.0
  Be  Be2  2  0.0  0.0  0.02  1.0
  W  W3  2  0.35  0.0  0.33  1.0

Ti Ti Be W
BeTi2W crystallizes in the monoclinic Cm space group. Be(1) is bonded in a single-bond geometry to one Ti(2) and three equivalent W(1) atoms. The Be(1)-Ti(2) bond length is 0.20 Å. There is one shorter (2.87 Å) and two longer (3.22 Å) Be(1)-W(1) bond lengths. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 9-coordinate geometry to four equivalent Ti(1), four equivalent Ti(2), and one W(1) atom. All Ti(1)-Ti(1) bond lengths are 2.70 Å. There are a spread of Ti(1)-Ti(2) bond distances ranging from 2.16-3.00 Å. The Ti(1)-W(1) bond length is 3.63 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Be(1) and four equivalent Ti(1) atoms. W(1) is bonded in a 8-coordinate geometry to three equivalent Be(1), one Ti(1), and four equivalent W(1) atoms. All W(1)-W(1) bond lengths are 2.70 Å.