data_SiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   10.36
_cell_length_c   26.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAs2
_chemical_formula_sum   'Si4 As8'
_cell_volume   1002.32
_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  Si8  1  0.5  0.8  0.11  1.0
  Si  Si9  1  0.0  0.08  0.06  1.0
  Si  Si10  1  0.0  0.58  0.18  1.0
  Si  Si11  1  0.5  0.3  0.13  1.0
  As  As0  1  0.5  0.89  0.19  1.0
  As  As1  1  0.5  0.95  0.04  1.0
  As  As2  1  0.0  0.66  0.09  1.0
  As  As3  1  0.0  0.76  0.23  1.0
  As  As4  1  0.0  0.26  0.0  1.0
  As  As5  1  0.0  0.16  0.15  1.0
  As  As6  1  0.5  0.45  0.2  1.0
  As  As7  1  0.5  0.39  0.04  1.0

Si Si Si Si As As As As As As As As 0 6 o o o 0 6 + o o 0 5 o o o 0 4 o o o 1 5 - - o 1 5 o - o 1 8 o o o 1 9 o o o 2 10 - o o 2 10 o o o 2 6 o o o 2 7 o o o 3 9 o o o 3 9 + o o 3 11 o o o 3 10 o o o 4 7 o o o 4 7 + o o 8 11 - o o 8 11 o o o 
data_SiAs2
_symmetry_space_group_name_H-M   Pmc2_1
_cell_length_a   3.69
_cell_length_b   26.21
_cell_length_c   10.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   26
_chemical_formula_structural   SiAs2
_chemical_formula_sum   'Si4 As8'
_cell_volume   1002.32
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z+1/2'
  3  '-x, y, z'
  4  'x, -y, z+1/2'
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  0.0  0.44  0.58  1.0
  Si  Si1  2  0.5  0.49  0.3  1.0
  As  As2  2  0.0  0.38  0.76  1.0
  As  As3  2  0.0  0.47  0.16  1.0
  As  As4  2  0.5  0.42  0.45  1.0
  As  As5  2  0.5  0.42  0.89  1.0
