data_YWBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   148.42
_cell_angle_beta   131.14
_cell_angle_gamma   59.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YWBr2
_chemical_formula_sum   'Y1 W1 Br2'
_cell_volume   86.89
_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
  Y  Y3  1  0.0  0.0  0.81  1.0
  W  W2  1  0.65  0.0  0.09  1.0
  Br  Br0  1  0.0  0.5  0.17  1.0
  Br  Br1  1  0.0  0.0  0.98  1.0

data_YWBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.01
_cell_length_c   6.06
_cell_angle_alpha   114.43
_cell_angle_beta   105.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YWBr2
_chemical_formula_sum   'Y1 W1 Br2'
_cell_volume   86.89
_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
  Y  Y0  1  0.19  0.19  0.19  1.0
  W  W1  1  0.56  0.91  0.56  1.0
  Br  Br2  1  0.02  0.02  0.02  1.0
  Br  Br3  1  0.83  0.33  0.33  1.0

Y W Br Br
YWBr2 crystallizes in the triclinic P1 space group. Y(1) is bonded in a 3-coordinate geometry to one W(1), one Br(2), and two equivalent Br(1) atoms. The Y(1)-W(1) bond length is 3.08 Å. The Y(1)-Br(2) bond length is 1.06 Å. There is one shorter (1.65 Å) and one longer (2.02 Å) Y(1)-Br(1) bond length. W(1) is bonded in a 5-coordinate geometry to one Y(1), one Br(2), and three equivalent Br(1) atoms. The W(1)-Br(2) bond length is 2.60 Å. There are a spread of W(1)-Br(1) bond distances ranging from 2.91-3.33 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Y(1) and three equivalent W(1) atoms. In the second Br site, Br(2) is bonded in a single-bond geometry to one Y(1) and one W(1) atom.