data_InIrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.58
_cell_length_b   9.58
_cell_length_c   9.58
_cell_angle_alpha   17.24
_cell_angle_beta   17.24
_cell_angle_gamma   17.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InIrW2
_chemical_formula_sum   'In1 Ir1 W2'
_cell_volume   67.31
_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  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.15  1.0
  W  W2  1  0.0  0.0  0.92  1.0
  W  W3  1  0.0  0.0  0.38  1.0

data_InIrW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   2.87
_cell_length_c   9.58
_cell_angle_alpha   90.0
_cell_angle_beta   99.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InIrW2
_chemical_formula_sum   'In2 Ir2 W4'
_cell_volume   134.63
_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  0.0  1.0
  Ir  Ir1  2  0.0  0.0  0.85  1.0
  W  W2  2  0.0  0.0  0.08  1.0
  W  W3  2  0.0  0.0  0.62  1.0

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