# generated using pymatgen
data_TmH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17224778
_cell_length_b   6.17224999
_cell_length_c   6.45023590
_cell_angle_alpha   90.00003455
_cell_angle_beta   90.00014025
_cell_angle_gamma   120.00008486
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmH3
_chemical_formula_sum   'Tm6 H18'
_cell_volume   212.81033652
_cell_formula_units_Z   6
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  0.33741167  0.33741293  0.74999982  1.0
  Tm  Tm1  1  0.66258900  0.00000142  0.75000022  1.0
  Tm  Tm2  1  0.00000020  0.66258951  0.75000010  1.0
  Tm  Tm3  1  0.33741100  -0.00000142  0.24999978  1.0
  Tm  Tm4  1  -0.00000020  0.33741049  0.24999990  1.0
  Tm  Tm5  1  0.66258833  0.66258807  0.25000018  1.0
  H  H6  1  0.67971982  0.64715478  0.59001136  1.0
  H  H7  1  0.35284606  0.03256608  0.59001102  1.0
  H  H8  1  0.96743571  0.32028168  0.59001107  1.0
  H  H9  1  0.67972023  0.03256425  0.09001148  1.0
  H  H10  1  0.96743799  0.64715772  0.09001190  1.0
  H  H11  1  0.35284404  0.32027931  0.09001099  1.0
  H  H12  1  0.32028018  0.35284522  0.40998864  1.0
  H  H13  1  0.64715494  0.96743392  0.40998898  1.0
  H  H14  1  0.03256429  0.67971932  0.40998893  1.0
  H  H15  1  0.32027977  0.96743575  0.90998852  1.0
  H  H16  1  0.03256201  0.35284228  0.90998810  1.0
  H  H17  1  0.64715596  0.67972069  0.90998901  1.0
  H  H18  1  -0.00000019  0.00000005  0.74999806  1.0
  H  H19  1  0.00000019  -0.00000005  0.25000194  1.0
  H  H20  1  0.33333342  0.66666752  0.68789796  1.0
  H  H21  1  0.33333342  0.66666527  0.18789639  1.0
  H  H22  1  0.66666658  0.33333248  0.31210204  1.0
  H  H23  1  0.66666658  0.33333473  0.81210361  1.0