# generated using pymatgen
data_Th2Fe17H3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46306839
_cell_length_b   6.46306839
_cell_length_c   6.46306872
_cell_angle_alpha   83.86013428
_cell_angle_beta   83.86013428
_cell_angle_gamma   83.86012689
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Fe17H3
_chemical_formula_sum   'Th2 Fe17 H3'
_cell_volume   265.63343803
_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  0.65917300  0.65917300  0.65917300  1.0
  Th  Th1  1  0.34082700  0.34082700  0.34082700  1.0
  Fe  Fe2  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe3  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe4  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe5  1  0.71722800  0.28277200  0.00000000  1.0
  Fe  Fe6  1  0.00000000  0.71722800  0.28277200  1.0
  Fe  Fe7  1  0.28277200  0.00000000  0.71722800  1.0
  Fe  Fe8  1  0.00000000  0.28277200  0.71722800  1.0
  Fe  Fe9  1  0.71722800  0.00000000  0.28277200  1.0
  Fe  Fe10  1  0.28277200  0.71722800  0.00000000  1.0
  Fe  Fe11  1  0.34106700  0.34106700  0.84587900  1.0
  Fe  Fe12  1  0.84587900  0.34106700  0.34106700  1.0
  Fe  Fe13  1  0.34106700  0.84587900  0.34106700  1.0
  Fe  Fe14  1  0.65893300  0.65893300  0.15412100  1.0
  Fe  Fe15  1  0.15412100  0.65893300  0.65893300  1.0
  Fe  Fe16  1  0.65893300  0.15412100  0.65893300  1.0
  Fe  Fe17  1  0.90503100  0.90503100  0.90503100  1.0
  Fe  Fe18  1  0.09496900  0.09496900  0.09496900  1.0
  H  H19  1  0.50000000  0.50000000  0.00000000  1.0
  H  H20  1  0.00000000  0.50000000  0.50000000  1.0
  H  H21  1  0.50000000  0.00000000  0.50000000  1.0