# generated using pymatgen
data_Tm2Fe17H3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.48826018
_cell_length_b   8.48826018
_cell_length_c   8.25324900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000139
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2Fe17H3
_chemical_formula_sum   'Tm4 Fe34 H6'
_cell_volume   514.98305513
_cell_formula_units_Z   2
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
  Tm  Tm0  1  0.33333300  0.66666700  0.25000000  1.0
  Tm  Tm1  1  0.66666700  0.33333300  0.75000000  1.0
  Tm  Tm2  1  0.00000000  0.00000000  0.25000000  1.0
  Tm  Tm3  1  0.00000000  0.00000000  0.75000000  1.0
  Fe  Fe4  1  0.37565100  0.04709200  0.25000000  1.0
  Fe  Fe5  1  0.62434900  0.95290800  0.75000000  1.0
  Fe  Fe6  1  0.95290800  0.32855900  0.25000000  1.0
  Fe  Fe7  1  0.04709200  0.37565100  0.75000000  1.0
  Fe  Fe8  1  0.04709200  0.67144100  0.75000000  1.0
  Fe  Fe9  1  0.95290800  0.62434900  0.25000000  1.0
  Fe  Fe10  1  0.67144100  0.62434900  0.25000000  1.0
  Fe  Fe11  1  0.32855900  0.95290800  0.75000000  1.0
  Fe  Fe12  1  0.32855900  0.37565100  0.75000000  1.0
  Fe  Fe13  1  0.67144100  0.04709200  0.25000000  1.0
  Fe  Fe14  1  0.62434900  0.67144100  0.75000000  1.0
  Fe  Fe15  1  0.37565100  0.32855900  0.25000000  1.0
  Fe  Fe16  1  0.33333300  0.66666700  0.60441900  1.0
  Fe  Fe17  1  0.66666700  0.33333300  0.39558100  1.0
  Fe  Fe18  1  0.66666700  0.33333300  0.10441900  1.0
  Fe  Fe19  1  0.33333300  0.66666700  0.89558100  1.0
  Fe  Fe20  1  0.16649300  0.33298700  0.01730100  1.0
  Fe  Fe21  1  0.83350700  0.66701300  0.98269900  1.0
  Fe  Fe22  1  0.66701300  0.83350700  0.01730100  1.0
  Fe  Fe23  1  0.83350700  0.66701300  0.51730100  1.0
  Fe  Fe24  1  0.33298700  0.16649300  0.98269900  1.0
  Fe  Fe25  1  0.16649300  0.33298700  0.48269900  1.0
  Fe  Fe26  1  0.16649300  0.83350700  0.01730100  1.0
  Fe  Fe27  1  0.33298700  0.16649300  0.51730100  1.0
  Fe  Fe28  1  0.83350700  0.16649300  0.98269900  1.0
  Fe  Fe29  1  0.66701300  0.83350700  0.48269900  1.0
  Fe  Fe30  1  0.83350700  0.16649300  0.51730100  1.0
  Fe  Fe31  1  0.16649300  0.83350700  0.48269900  1.0
  Fe  Fe32  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe33  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe34  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe35  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe36  1  0.00000000  0.50000000  0.50000000  1.0
  Fe  Fe37  1  0.50000000  0.50000000  0.50000000  1.0
  H  H38  1  0.16467100  0.32934200  0.25000000  1.0
  H  H39  1  0.83532900  0.67065800  0.75000000  1.0
  H  H40  1  0.67065800  0.83532900  0.25000000  1.0
  H  H41  1  0.32934200  0.16467100  0.75000000  1.0
  H  H42  1  0.16467100  0.83532900  0.25000000  1.0
  H  H43  1  0.83532900  0.16467100  0.75000000  1.0