# generated using pymatgen
data_Hf3Sc(CrRe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13756217
_cell_length_b   5.26340407
_cell_length_c   8.53133777
_cell_angle_alpha   89.99999668
_cell_angle_beta   89.94607044
_cell_angle_gamma   120.81363701
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Sc(CrRe3)2
_chemical_formula_sum   'Hf3 Sc1 Cr2 Re6'
_cell_volume   198.13077142
_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
  Hf  Hf0  1  0.33530743  0.66765421  0.43742669  1.0
  Hf  Hf1  1  0.66521814  0.33260907  0.93958212  1.0
  Hf  Hf2  1  0.66471220  0.33235610  0.56185341  1.0
  Sc  Sc3  1  0.33482684  0.66741342  0.06170829  1.0
  Cr  Cr4  1  0.66206110  0.83103005  0.74907577  1.0
  Cr  Cr5  1  0.33731017  0.16865559  0.25045251  1.0
  Re  Re6  1  0.82444100  0.17085748  0.25038985  1.0
  Re  Re7  1  0.17570667  0.34665132  0.74960511  1.0
  Re  Re8  1  0.17570667  0.82905535  0.74960511  1.0
  Re  Re9  1  0.82444100  0.65358352  0.25038985  1.0
  Re  Re10  1  0.00040934  0.00020417  0.50005310  1.0
  Re  Re11  1  0.99986043  0.99992972  0.99985819  1.0