data_FeIrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   3.8
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeIrW2
_chemical_formula_sum   'Fe1 Ir1 W2'
_cell_volume   57.4
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.74  1.0
  W  W2  1  0.38  0.9  0.17  1.0
  W  W3  1  0.38  0.9  0.31  1.0

data_FeIrW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   3.8
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeIrW2
_chemical_formula_sum   'Fe1 Ir1 W2'
_cell_volume   57.4
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.74  1.0
  W  W2  1  0.38  0.9  0.17  1.0
  W  W3  1  0.38  0.9  0.31  1.0

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