# generated using pymatgen
data_TmScB6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52454266
_cell_length_b   8.97122264
_cell_length_c   11.30953845
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmScB6Ir
_chemical_formula_sum   'Tm4 Sc4 B24 Ir4'
_cell_volume   357.60146333
_cell_formula_units_Z   4
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  0.50000000  0.31935455  0.41401718  1.0
  Tm  Tm1  1  0.50000000  0.68064545  0.58598282  1.0
  Tm  Tm2  1  0.50000000  0.18064545  0.91401718  1.0
  Tm  Tm3  1  0.50000000  0.81935455  0.08598282  1.0
  Sc  Sc4  1  0.50000000  0.44495604  0.12402089  1.0
  Sc  Sc5  1  0.50000000  0.55504396  0.87597911  1.0
  Sc  Sc6  1  0.50000000  0.05504396  0.62402089  1.0
  Sc  Sc7  1  0.50000000  0.94495604  0.37597911  1.0
  B  B8  1  0.00000000  0.10218306  0.47241507  1.0
  B  B9  1  0.00000000  0.89781694  0.52758493  1.0
  B  B10  1  0.00000000  0.39781694  0.97241507  1.0
  B  B11  1  0.00000000  0.60218306  0.02758493  1.0
  B  B12  1  0.00000000  0.13040878  0.31850959  1.0
  B  B13  1  0.00000000  0.86959122  0.68149041  1.0
  B  B14  1  0.00000000  0.36959122  0.81850959  1.0
  B  B15  1  0.00000000  0.63040878  0.18149041  1.0
  B  B16  1  0.00000000  0.05459385  0.06516610  1.0
  B  B17  1  0.00000000  0.94540615  0.93483390  1.0
  B  B18  1  0.00000000  0.44540615  0.56516610  1.0
  B  B19  1  0.00000000  0.55459385  0.43483390  1.0
  B  B20  1  0.00000000  0.48108566  0.28540694  1.0
  B  B21  1  0.00000000  0.51891434  0.71459306  1.0
  B  B22  1  0.00000000  0.01891434  0.78540694  1.0
  B  B23  1  0.00000000  0.98108566  0.21459306  1.0
  B  B24  1  0.00000000  0.25343461  0.07963466  1.0
  B  B25  1  0.00000000  0.74656539  0.92036534  1.0
  B  B26  1  0.00000000  0.24656539  0.57963466  1.0
  B  B27  1  0.00000000  0.75343461  0.42036534  1.0
  B  B28  1  0.00000000  0.29557316  0.23603575  1.0
  B  B29  1  0.00000000  0.70442684  0.76396425  1.0
  B  B30  1  0.00000000  0.20442684  0.73603575  1.0
  B  B31  1  0.00000000  0.79557316  0.26396425  1.0
  Ir  Ir32  1  0.50000000  0.14062146  0.18093712  1.0
  Ir  Ir33  1  0.50000000  0.85937854  0.81906288  1.0
  Ir  Ir34  1  0.50000000  0.35937854  0.68093712  1.0
  Ir  Ir35  1  0.50000000  0.64062146  0.31906288  1.0