data_Ge3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.43
_cell_length_b   9.43
_cell_length_c   9.43
_cell_angle_alpha   154.42
_cell_angle_beta   154.42
_cell_angle_gamma   36.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3As
_chemical_formula_sum   'Ge6 As2'
_cell_volume   156.3
_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  Ge2  1  0.09  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.09  0.0  1.0
  Ge  Ge4  1  0.09  0.0  0.48  1.0
  Ge  Ge5  1  0.0  0.09  0.48  1.0
  Ge  Ge6  1  0.0  0.0  0.29  1.0
  Ge  Ge7  1  0.0  0.0  0.63  1.0
  As  As0  1  0.0  0.0  0.8  1.0
  As  As1  1  0.0  0.0  0.11  1.0

data_Ge3As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   108.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ge3As
_chemical_formula_sum   'Ge12 As4'
_cell_volume   312.61
_cell_formula_units_Z   4
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
  Ge  Ge0  4  0.44  0.04  0.39  1.0
  Ge  Ge1  4  0.46  0.46  0.91  1.0
  Ge  Ge2  2  0.13  0.5  0.63  1.0
  Ge  Ge3  2  0.29  0.0  0.29  1.0
  As  As4  2  0.11  0.0  0.11  1.0
  As  As5  2  0.3  0.5  0.8  1.0

Ge Ge Ge Ge Ge Ge As As
Ge Ge Ge Ge Ge Ge As As 0 1 o o o 0 6 o o - 0 7 o o o 1 6 o o - 1 7 o o o 2 3 o o o 2 4 o o o 3 4 o o o 4 7 o o o 5 6 o o o 