# generated using pymatgen
data_HfCr(BRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06477285
_cell_length_b   8.82896950
_cell_length_c   8.82892618
_cell_angle_alpha   120.00016669
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr(BRu)2
_chemical_formula_sum   'Hf3 Cr3 B6 Ru6'
_cell_volume   206.89314258
_cell_formula_units_Z   3
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
  Hf  Hf0  1  0.00000000  0.58063648  1.00000000  1.0
  Hf  Hf1  1  0.00000000  0.41934738  0.41930793  1.0
  Hf  Hf2  1  0.00000000  0.00004046  0.58069207  1.0
  Cr  Cr3  1  0.00000000  0.82632136  0.82636207  1.0
  Cr  Cr4  1  0.00000000  0.99995929  0.17363793  1.0
  Cr  Cr5  1  0.00000000  0.17365535  0.00000000  1.0
  B  B6  1  0.50000000  0.99998850  0.00000000  1.0
  B  B7  1  0.50000000  0.80198463  1.00000000  1.0
  B  B8  1  0.50000000  0.19800373  0.19800077  1.0
  B  B9  1  0.50000000  0.00000396  0.80199923  1.0
  B  B10  1  0.00000000  0.33332953  0.66667488  1.0
  B  B11  1  0.00000000  0.66665566  0.33332512  1.0
  Ru  Ru12  1  0.50000000  0.53912529  0.72594022  1.0
  Ru  Ru13  1  0.50000000  0.18684564  0.46087834  1.0
  Ru  Ru14  1  0.50000000  0.27401713  0.81318489  1.0
  Ru  Ru15  1  0.50000000  0.81318608  0.27405978  1.0
  Ru  Ru16  1  0.50000000  0.72596730  0.53912166  1.0
  Ru  Ru17  1  0.50000000  0.46083124  0.18681511  1.0