data_InSiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98
_cell_length_b   8.98
_cell_length_c   8.98
_cell_angle_alpha   19.57
_cell_angle_beta   19.57
_cell_angle_gamma   19.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiW2
_chemical_formula_sum   'In1 Si1 W2'
_cell_volume   71.1
_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
  In  In0  1  0.0  0.0  0.21  1.0
  Si  Si1  1  0.0  0.0  0.56  1.0
  W  W2  1  0.0  0.0  0.01  1.0
  W  W3  1  0.0  0.0  0.85  1.0

data_InSiW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   3.05
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   101.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InSiW2
_chemical_formula_sum   'In2 Si2 W4'
_cell_volume   142.2
_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
  In  In0  2  0.0  0.0  0.79  1.0
  Si  Si1  2  0.0  0.0  0.44  1.0
  W  W2  2  0.0  0.0  0.15  1.0
  W  W3  2  0.0  0.0  0.99  1.0

In Si W W
In Si W W 0 2 o o o 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 2 3 o o - 