data_Si3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   11.44
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3As
_chemical_formula_sum   'Si18 As6'
_cell_volume   413.14
_cell_formula_units_Z   6
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  0.35  0.06  0.6  1.0
  Si  Si7  1  0.35  0.37  0.6  1.0
  Si  Si8  1  0.17  0.0  0.85  1.0
  Si  Si9  1  0.21  0.72  0.61  1.0
  Si  Si10  1  0.02  0.78  0.87  1.0
  Si  Si11  1  0.02  0.66  0.87  1.0
  Si  Si12  1  0.79  0.72  0.89  1.0
  Si  Si13  1  0.79  0.88  0.67  1.0
  Si  Si14  1  0.79  0.56  0.67  1.0
  Si  Si15  1  0.23  0.06  0.6  1.0
  Si  Si16  1  0.23  0.37  0.6  1.0
  Si  Si17  1  0.42  0.0  0.85  1.0
  Si  Si18  1  0.38  0.72  0.61  1.0
  Si  Si19  1  0.56  0.78  0.87  1.0
  Si  Si20  1  0.56  0.66  0.87  1.0
  Si  Si21  1  0.0  0.0  0.57  1.0
  Si  Si22  1  0.0  0.16  0.8  1.0
  Si  Si23  1  0.0  0.28  0.8  1.0
  As  As0  1  0.79  0.0  0.8  1.0
  As  As1  1  0.79  0.96  0.78  1.0
  As  As2  1  0.79  0.48  0.78  1.0
  As  As3  1  0.0  0.72  0.67  1.0
  As  As4  1  0.0  0.68  0.69  1.0
  As  As5  1  0.0  0.76  0.69  1.0

data_Si3As
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.58
_cell_length_b   6.47
_cell_length_c   11.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3As
_chemical_formula_sum   'Si18 As6'
_cell_volume   413.14
_cell_formula_units_Z   6
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  0.43  0.0  1.0
  Si  Si1  1  0.0  0.2  0.72  1.0
  Si  Si2  1  0.0  0.2  0.84  1.0
  Si  Si3  1  0.21  0.11  0.28  1.0
  Si  Si4  1  0.21  0.33  0.12  1.0
  Si  Si5  1  0.21  0.33  0.44  1.0
  Si  Si6  1  0.44  0.13  0.22  1.0
  Si  Si7  1  0.44  0.13  0.34  1.0
  Si  Si8  1  0.58  0.15  0.0  1.0
  Si  Si9  1  0.62  0.39  0.28  1.0
  Si  Si10  1  0.65  0.4  0.63  1.0
  Si  Si11  1  0.65  0.4  0.94  1.0
  Si  Si12  1  0.77  0.4  0.63  1.0
  Si  Si13  1  0.77  0.4  0.94  1.0
  Si  Si14  1  0.79  0.39  0.28  1.0
  Si  Si15  1  0.83  0.15  0.0  1.0
  Si  Si16  1  0.98  0.13  0.22  1.0
  Si  Si17  1  0.98  0.13  0.34  1.0
  As  As18  1  0.0  0.31  0.24  1.0
  As  As19  1  0.0  0.33  0.28  1.0
  As  As20  1  0.0  0.31  0.32  1.0
  As  As21  1  0.21  0.2  0.0  1.0
  As  As22  1  0.21  0.22  0.04  1.0
  As  As23  1  0.21  0.22  0.52  1.0

Si Si Si Si Si Si Si Si 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 Si Si Si Si Si Si Si Si As As As As As As 0 9 o o o 1 10 o o o 2 11 o o o 3 12 o o o 4 23 o o o 4 21 o o o 4 5 o o o 4 6 - o o 5 22 o o o 5 21 o o o 5 6 - o o 6 14 o o o 6 13 o o o 7 19 o o o 7 15 + + o 8 20 o o o 9 15 o o o 13 14 o o o 15 19 - - o 15 18 - o o 16 17 o o o 18 19 o - o 21 22 o o o 21 23 o o o 