data_InIrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   4.35
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InIrW2
_chemical_formula_sum   'In1 Ir1 W2'
_cell_volume   66.66
_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  0.65  0.17  0.0  1.0
  W  W2  1  0.65  0.0  0.32  1.0
  W  W3  1  0.0  0.17  0.32  1.0

data_InIrW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.35
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InIrW2
_chemical_formula_sum   'In1 Ir1 W2'
_cell_volume   66.66
_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  0.65  0.17  -0.0  1.0
  W  W2  1  0.0  0.17  0.32  1.0
  W  W3  1  0.65  0.0  0.32  1.0

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