# generated using pymatgen
data_TmHf(Sc2H9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86901106
_cell_length_b   5.87207138
_cell_length_c   6.13024745
_cell_angle_alpha   90.24447102
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.98275026
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmHf(Sc2H9)2
_chemical_formula_sum   'Tm1 Hf1 Sc4 H18'
_cell_volume   182.99325611
_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
  Tm  Tm0  1  0.33350881  0.00000000  0.25000000  1.0
  Hf  Hf1  1  0.66489264  0.00000000  0.75000000  1.0
  Sc  Sc2  1  0.33632806  0.33920473  0.74970469  1.0
  Sc  Sc3  1  0.99712433  0.66079527  0.75029531  1.0
  Sc  Sc4  1  0.66455653  0.66368347  0.25127091  1.0
  Sc  Sc5  1  0.00087205  0.33631653  0.24872909  1.0
  H  H6  1  0.33452257  0.96641290  0.90076876  1.0
  H  H7  1  0.64874468  0.68681886  0.90807646  1.0
  H  H8  1  0.01466910  0.33824455  0.90487276  1.0
  H  H9  1  0.32141672  0.34576690  0.41283371  1.0
  H  H10  1  0.01747806  0.67055352  0.41643393  1.0
  H  H11  1  0.65544747  0.97354718  0.41769873  1.0
  H  H12  1  0.68190029  0.02645282  0.08230127  1.0
  H  H13  1  0.34692454  0.32944648  0.08356607  1.0
  H  H14  1  0.97564882  0.65423310  0.08716629  1.0
  H  H15  1  0.67642454  0.66175545  0.59512724  1.0
  H  H16  1  0.96192581  0.31318114  0.59192354  1.0
  H  H17  1  0.36810967  0.03358710  0.59923124  1.0
  H  H18  1  0.99962497  1.00000000  0.75000000  1.0
  H  H19  1  0.98820280  0.00000000  0.25000000  1.0
  H  H20  1  0.66504934  0.32870854  0.80506654  1.0
  H  H21  1  0.67690453  0.34352067  0.29235984  1.0
  H  H22  1  0.33338286  0.65647933  0.20764016  1.0
  H  H23  1  0.33633981  0.67129146  0.69493346  1.0