# generated using pymatgen
data_Th2Fe17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49395115
_cell_length_b   6.49389812
_cell_length_c   6.49439585
_cell_angle_alpha   82.36023423
_cell_angle_beta   82.36043079
_cell_angle_gamma   82.35886067
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Fe17
_chemical_formula_sum   'Th2 Fe17'
_cell_volume   267.17567494
_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
  Th  Th0  1  0.33797443  0.33797822  0.33805201  1.0
  Th  Th1  1  0.66202557  0.66202178  0.66194799  1.0
  Fe  Fe2  1  0.09413971  0.09414075  0.09420049  1.0
  Fe  Fe3  1  0.90586029  0.90585925  0.90579951  1.0
  Fe  Fe4  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe5  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe6  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe7  1  0.29178317  0.70822272  -0.00000168  1.0
  Fe  Fe8  1  0.00000077  0.29173761  0.70818964  1.0
  Fe  Fe9  1  0.70825785  -0.00000071  0.29180943  1.0
  Fe  Fe10  1  0.70821683  0.29177728  0.00000168  1.0
  Fe  Fe11  1  -0.00000077  0.70826239  0.29181036  1.0
  Fe  Fe12  1  0.29174215  0.00000071  0.70819057  1.0
  Fe  Fe13  1  0.66132906  0.15694912  0.66122237  1.0
  Fe  Fe14  1  0.66127523  0.66128092  0.15696786  1.0
  Fe  Fe15  1  0.15695170  0.66133472  0.66122142  1.0
  Fe  Fe16  1  0.84304830  0.33866528  0.33877858  1.0
  Fe  Fe17  1  0.33867094  0.84305088  0.33877763  1.0
  Fe  Fe18  1  0.33872477  0.33871908  0.84303214  1.0