# generated using pymatgen
data_ReRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44972405
_cell_length_b   5.44972524
_cell_length_c   4.30262650
_cell_angle_alpha   89.99999527
_cell_angle_beta   90.00000155
_cell_angle_gamma   119.99999763
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRu3
_chemical_formula_sum   'Re2 Ru6'
_cell_volume   110.66579513
_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  0.33333395  0.66666879  0.75000166  1.0
  Re  Re1  1  0.66666699  0.33333451  0.24999654  1.0
  Ru  Ru2  1  0.16757048  0.33514095  0.25000010  1.0
  Ru  Ru3  1  0.66485827  0.83242876  0.25000011  1.0
  Ru  Ru4  1  0.16757036  0.83242873  0.25000005  1.0
  Ru  Ru5  1  0.83242888  0.66485767  0.74999989  1.0
  Ru  Ru6  1  0.33514151  0.16757027  0.74999978  1.0
  Ru  Ru7  1  0.83242956  0.16757032  0.74999987  1.0