data_Si5As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49
_cell_length_b   7.49
_cell_length_c   7.61
_cell_angle_alpha   95.38
_cell_angle_beta   95.38
_cell_angle_gamma   138.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si5As3
_chemical_formula_sum   'Si10 As6'
_cell_volume   272.25
_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
  Si  Si6  1  0.48  0.0  0.37  1.0
  Si  Si7  1  0.24  0.0  0.86  1.0
  Si  Si8  1  0.63  0.13  0.87  1.0
  Si  Si9  1  0.71  0.42  0.4  1.0
  Si  Si10  1  0.28  0.47  0.4  1.0
  Si  Si11  1  0.51  0.32  0.88  1.0
  Si  Si12  1  0.71  0.58  0.4  1.0
  Si  Si13  1  0.63  0.87  0.87  1.0
  Si  Si14  1  0.51  0.68  0.88  1.0
  Si  Si15  1  0.28  0.53  0.4  1.0
  As  As0  1  0.17  0.63  0.01  1.0
  As  As1  1  0.17  0.37  0.01  1.0
  As  As2  1  0.02  0.0  0.17  1.0
  As  As3  1  0.38  0.0  0.08  1.0
  As  As4  1  0.6  0.47  0.75  1.0
  As  As5  1  0.6  0.53  0.75  1.0

data_Si5As3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.29
_cell_length_b   7.49
_cell_length_c   7.61
_cell_angle_alpha   84.62
_cell_angle_beta   74.61
_cell_angle_gamma   69.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si5As3
_chemical_formula_sum   'Si10 As6'
_cell_volume   272.25
_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
  Si  Si0  1  0.0  0.24  0.14  1.0
  Si  Si1  1  0.0  0.48  0.63  1.0
  Si  Si2  1  0.13  0.49  0.13  1.0
  Si  Si3  1  0.32  0.19  0.12  1.0
  Si  Si4  1  0.42  0.29  0.6  1.0
  Si  Si5  1  0.47  0.81  0.6  1.0
  Si  Si6  1  0.53  0.75  0.6  1.0
  Si  Si7  1  0.58  0.13  0.6  1.0
  Si  Si8  1  0.68  0.82  0.12  1.0
  Si  Si9  1  0.87  0.76  0.13  1.0
  As  As10  1  0.0  0.02  0.83  1.0
  As  As11  1  0.0  0.38  0.92  1.0
  As  As12  1  0.37  0.8  0.99  1.0
  As  As13  1  0.47  0.13  0.25  1.0
  As  As14  1  0.53  0.06  0.25  1.0
  As  As15  1  0.63  0.53  0.99  1.0

Si Si Si Si Si Si Si Si Si Si As As As As As As
Si Si Si Si Si Si Si Si Si Si As As As As As As 0 13 o o o 0 3 o o o 0 9 o - o 1 5 o o o 1 13 o o + 1 2 o o o 1 12 o o + 2 13 o o + 2 5 o o o 2 7 o - o 3 6 o o o 4 9 o o o 4 12 o o o 5 15 o o o 5 14 o o o 6 12 + + o 7 8 o o o 7 12 + + + 8 11 o o + 8 12 + + + 9 12 o o o 10 13 o + o 10 11 o o o 11 12 o o o 12 13 o o o 14 15 o o o 