data_ReIrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   3.97
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReIrW2
_chemical_formula_sum   'Re1 Ir1 W2'
_cell_volume   62.17
_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
  Re  Re1  1  0.0  0.0  0.24  1.0
  Ir  Ir0  1  0.38  0.98  0.83  1.0
  W  W2  1  0.38  0.98  0.62  1.0
  W  W3  1  0.0  0.0  0.48  1.0

data_ReIrW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   3.97
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReIrW2
_chemical_formula_sum   'Re1 Ir1 W2'
_cell_volume   62.17
_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
  Re  Re0  1  0.0  0.0  0.24  1.0
  Ir  Ir1  1  0.38  0.98  0.83  1.0
  W  W2  1  0.0  0.0  0.48  1.0
  W  W3  1  0.38  0.98  0.62  1.0

Re Ir W W
Re Ir W W 0 3 o o o 1 2 o o o 2 3 o + o 