data_Re(IrW)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   6.75
_cell_angle_alpha   148.27
_cell_angle_beta   148.27
_cell_angle_gamma   45.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re(IrW)2
_chemical_formula_sum   'Re1 Ir2 W2'
_cell_volume   84.91
_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  Re2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.85  0.11  1.0
  Ir  Ir1  1  0.85  0.0  0.11  1.0
  W  W3  1  0.0  0.0  0.48  1.0
  W  W4  1  0.0  0.0  0.98  1.0

data_Re(IrW)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   112.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re(IrW)2
_chemical_formula_sum   'Re2 Ir4 W4'
_cell_volume   169.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ir  Ir1  4  0.19  0.08  0.27  1.0
  W  W2  2  0.48  0.5  0.98  1.0
  W  W3  2  0.48  0.0  0.48  1.0

Re Ir Ir W W