# generated using pymatgen
data_Sm2Fe17H3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42718424
_cell_length_b   6.42718424
_cell_length_c   6.42718435
_cell_angle_alpha   84.51536606
_cell_angle_beta   84.51536606
_cell_angle_gamma   84.51535972
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2Fe17H3
_chemical_formula_sum   'Sm2 Fe17 H3'
_cell_volume   262.07017480
_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
  Sm  Sm0  1  0.65558500  0.65558500  0.65558500  1.0
  Sm  Sm1  1  0.34441500  0.34441500  0.34441500  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  0.71611900  0.28388100  0.00000000  1.0
  Fe  Fe6  1  0.00000000  0.71611900  0.28388100  1.0
  Fe  Fe7  1  0.28388100  0.00000000  0.71611900  1.0
  Fe  Fe8  1  0.00000000  0.28388100  0.71611900  1.0
  Fe  Fe9  1  0.71611900  0.00000000  0.28388100  1.0
  Fe  Fe10  1  0.28388100  0.71611900  0.00000000  1.0
  Fe  Fe11  1  0.34120600  0.34120600  0.84763300  1.0
  Fe  Fe12  1  0.84763300  0.34120600  0.34120600  1.0
  Fe  Fe13  1  0.34120600  0.84763300  0.34120600  1.0
  Fe  Fe14  1  0.65879400  0.65879400  0.15236700  1.0
  Fe  Fe15  1  0.15236700  0.65879400  0.65879400  1.0
  Fe  Fe16  1  0.65879400  0.15236700  0.65879400  1.0
  Fe  Fe17  1  0.90246200  0.90246200  0.90246200  1.0
  Fe  Fe18  1  0.09753800  0.09753800  0.09753800  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