data_SiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   10.85
_cell_length_c   24.8
_cell_angle_alpha   84.09
_cell_angle_beta   85.73
_cell_angle_gamma   80.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAs
_chemical_formula_sum   'Si6 As6'
_cell_volume   973.72
_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  0.9  0.25  0.95  1.0
  Si  Si7  1  0.94  0.27  0.86  1.0
  Si  Si8  1  0.3  0.55  0.85  1.0
  Si  Si9  1  0.54  0.0  0.91  1.0
  Si  Si10  1  0.26  0.54  0.94  1.0
  Si  Si11  1  0.66  0.8  0.89  1.0
  As  As0  1  0.87  0.46  0.8  1.0
  As  As1  1  0.51  0.14  0.83  1.0
  As  As2  1  1.0  0.03  0.98  1.0
  As  As3  1  0.33  0.34  0.0  1.0
  As  As4  1  0.2  0.77  0.83  1.0
  As  As5  1  0.68  0.66  0.97  1.0

Si Si Si Si Si Si As As As As As As 0 8 o o o 0 9 o o + 0 9 + o + 0 1 o o o 1 7 o o o 1 7 + o o 1 6 o o o 2 6 - o o 2 6 o o o 2 4 o o o 2 10 o o o 3 8 - o o 3 8 o o o 3 5 o - o 3 7 o o o 4 9 o o + 4 11 - o o 4 11 o o o 5 10 o o o 5 10 + o o 5 11 o o o 
data_SiAs
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   21.38
_cell_length_b   3.7
_cell_length_c   26.02
_cell_angle_alpha   90.0
_cell_angle_beta   108.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   SiAs
_chemical_formula_sum   'Si12 As12'
_cell_volume   1947.44
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Si  Si0  4  0.06  0.5  0.01  1.0
  Si  Si1  4  0.16  0.0  0.96  1.0
  Si  Si2  4  0.2  0.0  0.05  1.0
  As  As3  4  0.09  0.5  0.93  1.0
  As  As4  4  0.1  0.0  0.07  1.0
  As  As5  4  0.23  0.0  0.9  1.0
