data_Cr2AsBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_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   Cr2AsBr
_chemical_formula_sum   'Cr2 As1 Br1'
_cell_volume   74.26
_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
  Cr  Cr2  1  0.39  0.0  0.63  1.0
  Cr  Cr3  1  0.0  0.39  0.63  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.39  0.39  0.0  1.0

data_Cr2AsBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.76
_cell_length_b   6.76
_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   Cr2AsBr
_chemical_formula_sum   'Cr4 As2 Br2'
_cell_volume   148.52
_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
  Cr  Cr0  4  0.19  0.19  0.63  1.0
  As  As1  2  0.0  0.0  0.0  1.0
  Br  Br2  2  0.39  0.0  0.0  1.0

Cr Cr As Br
Cr2AsBr crystallizes in the monoclinic Cm space group. Cr(1) is bonded in a 2-coordinate geometry to three equivalent As(1) and three equivalent Br(1) atoms. There are a spread of Cr(1)-As(1) bond distances ranging from 2.22-3.16 Å. There are a spread of Cr(1)-Br(1) bond distances ranging from 2.22-3.16 Å. As(1) is bonded in a 7-coordinate geometry to six equivalent Cr(1) and one Br(1) atom. The As(1)-Br(1) bond length is 2.63 Å. Br(1) is bonded in a 7-coordinate geometry to six equivalent Cr(1) and one As(1) atom.