# generated using pymatgen
data_Hf3Sc(TiRe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26934619
_cell_length_b   5.26934595
_cell_length_c   8.67545283
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999535
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Sc(TiRe3)2
_chemical_formula_sum   'Hf3 Sc1 Ti2 Re6'
_cell_volume   208.61054069
_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  0.66666700  0.33333300  0.56350470  1.0
  Hf  Hf1  1  0.66666700  0.33333300  0.93669001  1.0
  Hf  Hf2  1  0.33333300  0.66666700  0.43553400  1.0
  Sc  Sc3  1  0.33333300  0.66666700  0.06281983  1.0
  Ti  Ti4  1  0.00000000  0.00000000  0.00069920  1.0
  Ti  Ti5  1  0.00000000  0.00000000  0.50016182  1.0
  Re  Re6  1  0.83029497  0.66059093  0.25124887  1.0
  Re  Re7  1  0.16956773  0.83043227  0.74894794  1.0
  Re  Re8  1  0.66086553  0.83043227  0.74894794  1.0
  Re  Re9  1  0.33940907  0.16970503  0.25124887  1.0
  Re  Re10  1  0.83029497  0.16970503  0.25124887  1.0
  Re  Re11  1  0.16956773  0.33913447  0.74894794  1.0