# generated using pymatgen
data_TmScAlB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48627046
_cell_length_b   9.00365854
_cell_length_c   11.34221695
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmScAlB6
_chemical_formula_sum   'Tm4 Sc4 Al4 B24'
_cell_volume   356.02298886
_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  0.00000000  0.82025733  0.08628927  1.0
  Tm  Tm1  1  0.00000000  0.17974267  0.91371073  1.0
  Tm  Tm2  1  0.00000000  0.32025733  0.41371073  1.0
  Tm  Tm3  1  0.00000000  0.67974267  0.58628927  1.0
  Sc  Sc4  1  0.00000000  0.44418871  0.12779227  1.0
  Sc  Sc5  1  0.00000000  0.55581129  0.87220773  1.0
  Sc  Sc6  1  0.00000000  0.94418871  0.37220773  1.0
  Sc  Sc7  1  0.00000000  0.05581129  0.62779227  1.0
  Al  Al8  1  0.00000000  0.14181468  0.18145334  1.0
  Al  Al9  1  0.00000000  0.85818532  0.81854666  1.0
  Al  Al10  1  0.00000000  0.64181468  0.31854666  1.0
  Al  Al11  1  0.00000000  0.35818532  0.68145334  1.0
  B  B12  1  0.50000000  0.05169353  0.06467940  1.0
  B  B13  1  0.50000000  0.94830647  0.93532060  1.0
  B  B14  1  0.50000000  0.55169353  0.43532060  1.0
  B  B15  1  0.50000000  0.44830647  0.56467940  1.0
  B  B16  1  0.50000000  0.25453998  0.08010047  1.0
  B  B17  1  0.50000000  0.74546002  0.91989953  1.0
  B  B18  1  0.50000000  0.75453998  0.41989953  1.0
  B  B19  1  0.50000000  0.24546002  0.58010047  1.0
  B  B20  1  0.50000000  0.29812042  0.23701929  1.0
  B  B21  1  0.50000000  0.70187958  0.76298071  1.0
  B  B22  1  0.50000000  0.79812042  0.26298071  1.0
  B  B23  1  0.50000000  0.20187958  0.73701929  1.0
  B  B24  1  0.50000000  0.12991622  0.31901907  1.0
  B  B25  1  0.50000000  0.87008378  0.68098093  1.0
  B  B26  1  0.50000000  0.62991622  0.18098093  1.0
  B  B27  1  0.50000000  0.37008378  0.81901907  1.0
  B  B28  1  0.50000000  0.47931784  0.28669092  1.0
  B  B29  1  0.50000000  0.52068216  0.71330908  1.0
  B  B30  1  0.50000000  0.97931784  0.21330908  1.0
  B  B31  1  0.50000000  0.02068216  0.78669092  1.0
  B  B32  1  0.50000000  0.09880006  0.47297019  1.0
  B  B33  1  0.50000000  0.90119994  0.52702981  1.0
  B  B34  1  0.50000000  0.59880006  0.02702981  1.0
  B  B35  1  0.50000000  0.40119994  0.97297019  1.0