data_ZrBeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   143.12
_cell_angle_beta   131.44
_cell_angle_gamma   62.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBeW2
_chemical_formula_sum   'Zr1 Be1 W2'
_cell_volume   65.03
_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
  Zr  Zr3  1  0.0  0.0  0.5  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.17  0.31  1.0
  W  W2  1  0.67  0.0  0.19  1.0

data_ZrBeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.33
_cell_length_c   5.27
_cell_angle_alpha   114.28
_cell_angle_beta   108.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBeW2
_chemical_formula_sum   'Zr1 Be1 W2'
_cell_volume   65.03
_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
  Zr  Zr0  1  0.5  0.5  0.5  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.47  0.81  0.47  1.0
  W  W3  1  0.69  0.86  0.86  1.0

Zr Be W W
Zr Be W W 0 3 - o o 1 2 o o o 
BeZrW2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BeZrW2 cluster. Be(1) is bonded in a distorted single-bond geometry to one W(1) atom. The Be(1)-W(1) bond length is 1.07 Å. Zr(1) is bonded in a 2-coordinate geometry to one W(1) and one W(2) atom. The Zr(1)-W(1) bond length is 1.80 Å. The Zr(1)-W(2) bond length is 1.40 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 one Zr(1) atom. In the second W site, W(2) is bonded in a single-bond geometry to one Zr(1) atom.