# generated using pymatgen
data_Hf2Sc3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17057700
_cell_length_b   7.17057700
_cell_length_c   12.99520000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Sc3Si4
_chemical_formula_sum   'Hf8 Sc12 Si16'
_cell_volume   668.17646623
_cell_formula_units_Z   4
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  0.64249300  0.49873600  0.87566500  1.0
  Hf  Hf1  1  0.35750700  0.50126400  0.37566500  1.0
  Hf  Hf2  1  0.99873600  0.85750700  0.62566500  1.0
  Hf  Hf3  1  0.00126400  0.14249300  0.12566500  1.0
  Hf  Hf4  1  0.50126400  0.35750700  0.62433500  1.0
  Hf  Hf5  1  0.49873600  0.64249300  0.12433500  1.0
  Hf  Hf6  1  0.85750700  0.99873600  0.37433500  1.0
  Hf  Hf7  1  0.14249300  0.00126400  0.87433500  1.0
  Sc  Sc8  1  0.82318800  0.17681200  0.75000000  1.0
  Sc  Sc9  1  0.17681200  0.82318800  0.25000000  1.0
  Sc  Sc10  1  0.67681200  0.67681200  0.50000000  1.0
  Sc  Sc11  1  0.32318800  0.32318800  0.00000000  1.0
  Sc  Sc12  1  0.84612500  0.49624900  0.28481900  1.0
  Sc  Sc13  1  0.15387500  0.50375100  0.78481900  1.0
  Sc  Sc14  1  0.99624900  0.65387500  0.03481900  1.0
  Sc  Sc15  1  0.00375100  0.34612500  0.53481900  1.0
  Sc  Sc16  1  0.50375100  0.15387500  0.21518100  1.0
  Sc  Sc17  1  0.49624900  0.84612500  0.71518100  1.0
  Sc  Sc18  1  0.65387500  0.99624900  0.96518100  1.0
  Sc  Sc19  1  0.34612500  0.00375100  0.46518100  1.0
  Si  Si20  1  0.70881700  0.35589000  0.07372900  1.0
  Si  Si21  1  0.29118300  0.64411000  0.57372900  1.0
  Si  Si22  1  0.85589000  0.79118300  0.82372900  1.0
  Si  Si23  1  0.14411000  0.20881700  0.32372900  1.0
  Si  Si24  1  0.64411000  0.29118300  0.42627100  1.0
  Si  Si25  1  0.35589000  0.70881700  0.92627100  1.0
  Si  Si26  1  0.79118300  0.85589000  0.17627100  1.0
  Si  Si27  1  0.20881700  0.14411000  0.67627100  1.0
  Si  Si28  1  0.80049300  0.55188700  0.68642200  1.0
  Si  Si29  1  0.19950700  0.44811300  0.18642200  1.0
  Si  Si30  1  0.05188700  0.69950700  0.43642200  1.0
  Si  Si31  1  0.94811300  0.30049300  0.93642200  1.0
  Si  Si32  1  0.44811300  0.19950700  0.81357800  1.0
  Si  Si33  1  0.55188700  0.80049300  0.31357800  1.0
  Si  Si34  1  0.69950700  0.05188700  0.56357800  1.0
  Si  Si35  1  0.30049300  0.94811300  0.06357800  1.0