# generated using pymatgen
data_Th2Fe17C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48559672
_cell_length_b   6.48559672
_cell_length_c   6.49946844
_cell_angle_alpha   83.92713978
_cell_angle_beta   83.92713978
_cell_angle_gamma   83.19778693
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Fe17C
_chemical_formula_sum   'Th2 Fe17 C1'
_cell_volume   268.73228776
_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  0.33477400  0.33477400  0.35521700  1.0
  Th  Th1  1  0.66522600  0.66522600  0.64478300  1.0
  Fe  Fe2  1  0.15040600  0.65778800  0.65744300  1.0
  Fe  Fe3  1  0.65711000  0.65711000  0.14929000  1.0
  Fe  Fe4  1  0.65778800  0.15040600  0.65744300  1.0
  Fe  Fe5  1  0.84959400  0.34221200  0.34255700  1.0
  Fe  Fe6  1  0.34289000  0.34289000  0.85071000  1.0
  Fe  Fe7  1  0.34221200  0.84959400  0.34255700  1.0
  Fe  Fe8  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe9  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe10  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe11  1  0.09557900  0.09557900  0.09585400  1.0
  Fe  Fe12  1  0.90442100  0.90442100  0.90414600  1.0
  Fe  Fe13  1  0.71596400  0.28403600  0.00000000  1.0
  Fe  Fe14  1  0.28302800  0.99810600  0.71835000  1.0
  Fe  Fe15  1  0.00189400  0.71697200  0.28165000  1.0
  Fe  Fe16  1  0.71697200  0.00189400  0.28165000  1.0
  Fe  Fe17  1  0.99810600  0.28302800  0.71835000  1.0
  Fe  Fe18  1  0.28403600  0.71596400  0.00000000  1.0
  C  C19  1  0.50000000  0.50000000  0.00000000  1.0