data_SbIrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   4.23
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbIrW2
_chemical_formula_sum   'Sb1 Ir1 W2'
_cell_volume   67.52
_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
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.75  0.11  0.0  1.0
  W  W2  1  0.0  0.11  0.28  1.0
  W  W3  1  0.75  0.0  0.28  1.0

data_SbIrW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.23
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbIrW2
_chemical_formula_sum   'Sb1 Ir1 W2'
_cell_volume   67.52
_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
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.75  0.11  0.0  1.0
  W  W2  1  0.0  0.11  0.28  1.0
  W  W3  1  0.75  0.0  0.28  1.0

Sb Ir W W
Sb Ir W W 0 1 - o o 2 3 - o o 