# generated using pymatgen
data_Hf3(ThSi2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36460972
_cell_length_b   7.36460972
_cell_length_c   13.63346816
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3(ThSi2)2
_chemical_formula_sum   'Hf12 Th8 Si16'
_cell_volume   739.44490668
_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  0.17196492  0.17196492  0.00000000  1.0
  Hf  Hf1  1  0.82803508  0.82803508  0.50000000  1.0
  Hf  Hf2  1  0.32803508  0.67196492  0.25000000  1.0
  Hf  Hf3  1  0.67196492  0.32803508  0.75000000  1.0
  Hf  Hf4  1  0.15759721  0.99620967  0.37501425  1.0
  Hf  Hf5  1  0.84240279  0.00379033  0.87501425  1.0
  Hf  Hf6  1  0.50379033  0.65759721  0.62501425  1.0
  Hf  Hf7  1  0.34240279  0.49620967  0.87498575  1.0
  Hf  Hf8  1  0.49620967  0.34240279  0.12501425  1.0
  Hf  Hf9  1  0.65759721  0.50379033  0.37498575  1.0
  Hf  Hf10  1  0.99620967  0.15759721  0.62498575  1.0
  Hf  Hf11  1  0.00379033  0.84240279  0.12498575  1.0
  Th  Th12  1  0.99732682  0.34061832  0.21665328  1.0
  Th  Th13  1  0.00267318  0.65938168  0.71665328  1.0
  Th  Th14  1  0.15938168  0.49732682  0.46665328  1.0
  Th  Th15  1  0.50267318  0.84061832  0.03334672  1.0
  Th  Th16  1  0.84061832  0.50267318  0.96665328  1.0
  Th  Th17  1  0.49732682  0.15938168  0.53334672  1.0
  Th  Th18  1  0.34061832  0.99732682  0.78334672  1.0
  Th  Th19  1  0.65938168  0.00267318  0.28334672  1.0
  Si  Si20  1  0.36866708  0.29924984  0.31552754  1.0
  Si  Si21  1  0.63133292  0.70075016  0.81552754  1.0
  Si  Si22  1  0.20075016  0.86866708  0.56552754  1.0
  Si  Si23  1  0.13133292  0.79924984  0.93447246  1.0
  Si  Si24  1  0.79924984  0.13133292  0.06552754  1.0
  Si  Si25  1  0.86866708  0.20075016  0.43447246  1.0
  Si  Si26  1  0.29924984  0.36866708  0.68447246  1.0
  Si  Si27  1  0.70075016  0.63133292  0.18447246  1.0
  Si  Si28  1  0.29047744  0.04336947  0.18516376  1.0
  Si  Si29  1  0.70952256  0.95663053  0.68516376  1.0
  Si  Si30  1  0.45663053  0.79047744  0.43516376  1.0
  Si  Si31  1  0.20952256  0.54336947  0.06483624  1.0
  Si  Si32  1  0.54336947  0.20952256  0.93516376  1.0
  Si  Si33  1  0.79047744  0.45663053  0.56483624  1.0
  Si  Si34  1  0.04336947  0.29047744  0.81483624  1.0
  Si  Si35  1  0.95663053  0.70952256  0.31483624  1.0