data_SiW8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   97.57
_cell_angle_beta   97.57
_cell_angle_gamma   137.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiW8
_chemical_formula_sum   'Si1 W8'
_cell_volume   144.22
_cell_formula_units_Z   1
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  0.0  0.0  1.0
  W  W1  1  0.31  0.69  0.22  1.0
  W  W2  1  0.69  0.31  0.22  1.0
  W  W3  1  0.64  0.0  0.0  1.0
  W  W4  1  0.31  0.31  0.22  1.0
  W  W5  1  0.0  0.64  0.0  1.0
  W  W6  1  0.71  0.71  0.0  1.0
  W  W7  1  0.42  0.0  0.0  1.0
  W  W8  1  0.0  0.42  0.0  1.0

data_SiW8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.44
_cell_length_b   11.4
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   111.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiW8
_chemical_formula_sum   'Si2 W16'
_cell_volume   288.44
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  '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  2  0.0  0.0  0.0  1.0
  W  W1  4  0.18  0.18  0.0  1.0
  W  W2  4  0.22  0.31  0.22  1.0
  W  W3  4  0.29  0.29  0.0  1.0
  W  W4  2  0.29  0.0  0.0  1.0
  W  W5  2  0.41  0.5  0.22  1.0

Si W W W W W W W W
Si W W W W W W W W 0 6 - - o 0 4 o o o 1 8 o o o 2 7 o o o 3 7 o o o 5 8 o o o 