data_Zn2AsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2AsBr
_chemical_formula_sum   'Zn2 As1 Br1'
_cell_volume   79.49
_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
  Zn  Zn2  1  0.47  0.0  0.62  1.0
  Zn  Zn3  1  0.0  0.47  0.62  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.47  0.47  0.0  1.0

data_Zn2AsBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2AsBr
_chemical_formula_sum   'Zn4 As2 Br2'
_cell_volume   158.98
_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
  Zn  Zn0  4  0.24  0.24  0.62  1.0
  As  As1  2  0.0  0.0  0.0  1.0
  Br  Br2  2  0.47  0.0  -0.0  1.0

Zn Zn As Br
Zn2AsBr crystallizes in the monoclinic Cm space group. Zn(1) is bonded in a 6-coordinate geometry to three equivalent As(1) and three equivalent Br(1) atoms. There are a spread of Zn(1)-As(1) bond distances ranging from 2.64-3.10 Å. There are a spread of Zn(1)-Br(1) bond distances ranging from 2.64-3.10 Å. As(1) is bonded in a 4-coordinate geometry to six equivalent Zn(1) atoms. Br(1) is bonded in a 6-coordinate geometry to six equivalent Zn(1) atoms.