data_SiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31
_cell_length_b   3.68
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAs
_chemical_formula_sum   'Si4 As4'
_cell_volume   153.2
_cell_formula_units_Z   4
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  Si4  1  0.98  0.76  0.17  1.0
  Si  Si5  1  0.68  0.92  0.02  1.0
  Si  Si6  1  0.63  0.76  0.68  1.0
  Si  Si7  1  0.33  0.92  0.53  1.0
  As  As0  1  0.98  0.76  0.41  1.0
  As  As1  1  0.67  0.92  0.56  1.0
  As  As2  1  0.64  0.76  0.15  1.0
  As  As3  1  0.32  0.92  0.29  1.0

data_SiAs
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.68
_cell_length_b   5.7
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SiAs
_chemical_formula_sum   'Si4 As4'
_cell_volume   153.2
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.42  0.33  0.48  1.0
  Si  Si1  2  0.42  0.82  0.82  1.0
  As  As2  2  0.42  0.06  0.83  1.0
  As  As3  2  0.42  0.79  0.48  1.0

Si Si Si Si As As As As
Si Si Si Si As As As As 0 4 o o o 1 6 o o o 2 5 o o o 3 7 o o o 