data_Re2IrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   131.96
_cell_angle_beta   131.96
_cell_angle_gamma   70.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2IrW
_chemical_formula_sum   'Re2 Ir1 W1'
_cell_volume   60.5
_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  0.94  1.0
  Re  Re2  1  0.0  0.96  0.97  1.0
  Ir  Ir0  1  0.96  0.0  0.97  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Re2IrW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   4.81
_cell_angle_alpha   114.02
_cell_angle_beta   114.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2IrW
_chemical_formula_sum   'Re2 Ir1 W1'
_cell_volume   60.5
_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  0.06  0.0  0.06  1.0
  Re  Re1  1  0.99  0.96  0.99  1.0
  Ir  Ir2  1  0.03  0.0  0.99  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Re Re Ir W