data_ZrOsW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89
_cell_length_b   9.89
_cell_length_c   9.89
_cell_angle_alpha   16.53
_cell_angle_beta   16.53
_cell_angle_gamma   16.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrOsW2
_chemical_formula_sum   'Zr1 Os1 W2'
_cell_volume   68.34
_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  0.72  1.0
  Os  Os0  1  0.0  0.0  0.5  1.0
  W  W1  1  0.0  0.0  0.14  1.0
  W  W2  1  0.0  0.0  0.8  1.0

data_ZrOsW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   2.84
_cell_length_c   9.89
_cell_angle_alpha   90.0
_cell_angle_beta   99.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrOsW2
_chemical_formula_sum   'Zr2 Os2 W4'
_cell_volume   136.68
_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
  Zr  Zr0  2  0.0  0.0  0.28  1.0
  Os  Os1  2  0.0  0.0  0.5  1.0
  W  W2  2  0.0  0.0  0.2  1.0
  W  W3  2  0.0  0.0  0.86  1.0

Zr Os W W
Zr Os W W 0 3 o o o 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 
ZrW2Os crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a single-bond geometry to one W(2) and one Os(1) atom. The Zr(1)-W(2) bond length is 0.80 Å. The Zr(1)-Os(1) bond length is 2.19 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded to one W(2), six equivalent W(1), and one Os(1) atom to form a mixture of corner and edge-sharing WOsW7 hexagonal bipyramids. The W(1)-W(2) bond length is 3.38 Å. All W(1)-W(1) bond lengths are 2.84 Å. The W(1)-Os(1) bond length is 3.52 Å. In the second W site, W(2) is bonded in a single-bond geometry to one Zr(1) and one W(1) atom. Os(1) is bonded in a single-bond geometry to one Zr(1) and one W(1) atom.