data_GeAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAs3
_chemical_formula_sum   'Ge2 As6'
_cell_volume   158.28
_cell_formula_units_Z   2
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
  Ge  Ge6  1  0.7  0.7  0.7  1.0
  Ge  Ge7  1  0.0  0.0  0.0  1.0
  As  As0  1  0.35  0.0  0.7  1.0
  As  As1  1  0.06  0.0  0.7  1.0
  As  As2  1  0.7  0.35  0.0  1.0
  As  As3  1  0.7  0.06  0.0  1.0
  As  As4  1  0.0  0.7  0.06  1.0
  As  As5  1  0.0  0.7  0.35  1.0

data_GeAs3
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.65
_cell_length_b   7.65
_cell_length_c   9.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   GeAs3
_chemical_formula_sum   'Ge6 As18'
_cell_volume   474.84
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Ge  Ge0  3  0.0  0.0  0.0  1.0
  Ge  Ge1  3  0.0  0.0  0.7  1.0
  As  As2  9  0.02  0.69  0.69  1.0
  As  As3  9  0.08  0.86  0.92  1.0

Ge Ge As As As As As As
Ge Ge As As As As As As 0 2 o + o 0 4 o o + 0 7 + o o 0 1 + + + 0 3 + + o 0 6 + o + 0 5 o + + 1 5 - o o 1 6 o - o 1 3 o o - 2 3 o o o 4 5 o o o 6 7 o o o 
GeAs3 crystallizes in the trigonal R3 space group. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 6-coordinate geometry to three equivalent As(1) and three equivalent As(2) atoms. All Ge(1)-As(1) bond lengths are 2.49 Å. All Ge(1)-As(2) bond lengths are 2.49 Å. In the second Ge site, Ge(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent As(2) atoms. All Ge(2)-As(2) bond lengths are 1.63 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 2-coordinate geometry to one Ge(1) and one As(2) atom. The As(1)-As(2) bond length is 1.60 Å. In the second As site, As(2) is bonded in a 1-coordinate geometry to one Ge(1), one Ge(2), and one As(1) atom.