data_ZrSbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSbBr2
_chemical_formula_sum   'Zr1 Sb1 Br2'
_cell_volume   98.92
_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  0.0  1.0
  Sb  Sb2  1  0.21  0.0  0.0  1.0
  Br  Br0  1  0.61  0.33  0.65  1.0
  Br  Br1  1  0.61  0.67  0.65  1.0

data_ZrSbBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   110.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSbBr2
_chemical_formula_sum   'Zr1 Sb1 Br2'
_cell_volume   98.92
_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  0.0  0.0  0.0  1.0
  Sb  Sb1  1  -0.0  0.21  0.0  1.0
  Br  Br2  1  0.65  0.61  0.33  1.0
  Br  Br3  1  0.65  0.61  0.67  1.0

Zr Sb Br Br
ZrSbBr2 crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 1-coordinate geometry to one Sb(1), one Br(1), and two equivalent Br(2) atoms. The Zr(1)-Sb(1) bond length is 1.21 Å. The Zr(1)-Br(1) bond length is 3.59 Å. There is one shorter (2.62 Å) and one longer (3.18 Å) Zr(1)-Br(2) bond length. Sb(1) is bonded in a distorted single-bond geometry to one Zr(1) and two equivalent Br(1) atoms. There is one shorter (2.62 Å) and one longer (3.18 Å) Sb(1)-Br(1) bond length. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to one Zr(1), two equivalent Sb(1), and one Br(2) atom. The Br(1)-Br(2) bond length is 1.89 Å. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to two equivalent Zr(1) and one Br(1) atom.