# generated using pymatgen
data_ReIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50256581
_cell_length_b   5.50256555
_cell_length_c   4.37807572
_cell_angle_alpha   89.99995981
_cell_angle_beta   90.00005354
_cell_angle_gamma   119.99999726
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReIr3
_chemical_formula_sum   'Re2 Ir6'
_cell_volume   114.80065926
_cell_formula_units_Z   2
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  0.33333402  0.66666689  0.74999893  1.0
  Re  Re1  1  0.66666636  0.33333324  0.24999909  1.0
  Ir  Ir2  1  0.16696473  0.33392855  0.24999963  1.0
  Ir  Ir3  1  0.66607171  0.83303591  0.24999932  1.0
  Ir  Ir4  1  0.16696466  0.83303481  0.24999964  1.0
  Ir  Ir5  1  0.83303577  0.66607165  0.75000029  1.0
  Ir  Ir6  1  0.33392826  0.16696376  0.75000001  1.0
  Ir  Ir7  1  0.83303549  0.16696519  0.74999909  1.0