data_SiIrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   2.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiIrW
_chemical_formula_sum   'Si1 Ir1 W1'
_cell_volume   43.26
_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  Si1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.12  0.22  0.0  1.0
  W  W2  1  0.0  0.44  0.39  1.0

data_SiIrW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.23
_cell_length_c   4.23
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiIrW
_chemical_formula_sum   'Si1 Ir1 W1'
_cell_volume   43.26
_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
  Ir  Ir1  1  0.0  0.12  0.22  1.0
  W  W2  1  0.39  0.0  0.44  1.0

Si Ir W
Si Ir W 0 1 o o o 1 2 o o o 