# generated using pymatgen
data_TmScNiB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43635519
_cell_length_b   8.90998503
_cell_length_c   11.24393687
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmScNiB6
_chemical_formula_sum   'Tm4 Sc4 Ni4 B24'
_cell_volume   344.26543396
_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  0.32307130  0.41484279  1.0
  Tm  Tm1  1  0.50000000  0.67692870  0.58515721  1.0
  Tm  Tm2  1  0.50000000  0.17692870  0.91484279  1.0
  Tm  Tm3  1  0.50000000  0.82307130  0.08515721  1.0
  Sc  Sc4  1  0.50000000  0.44453371  0.12854046  1.0
  Sc  Sc5  1  0.50000000  0.55546629  0.87145954  1.0
  Sc  Sc6  1  0.50000000  0.05546629  0.62854046  1.0
  Sc  Sc7  1  0.50000000  0.94453371  0.37145954  1.0
  Ni  Ni8  1  0.50000000  0.14282191  0.18207097  1.0
  Ni  Ni9  1  0.50000000  0.85717809  0.81792903  1.0
  Ni  Ni10  1  0.50000000  0.35717809  0.68207097  1.0
  Ni  Ni11  1  0.50000000  0.64282191  0.31792903  1.0
  B  B12  1  0.00000000  0.10041056  0.47329502  1.0
  B  B13  1  0.00000000  0.89958944  0.52670498  1.0
  B  B14  1  0.00000000  0.39958944  0.97329502  1.0
  B  B15  1  0.00000000  0.60041056  0.02670498  1.0
  B  B16  1  0.00000000  0.13289098  0.31794713  1.0
  B  B17  1  0.00000000  0.86710902  0.68205287  1.0
  B  B18  1  0.00000000  0.36710902  0.81794713  1.0
  B  B19  1  0.00000000  0.63289098  0.18205287  1.0
  B  B20  1  0.00000000  0.05413309  0.06658800  1.0
  B  B21  1  0.00000000  0.94586691  0.93341200  1.0
  B  B22  1  0.00000000  0.44586691  0.56658800  1.0
  B  B23  1  0.00000000  0.55413309  0.43341200  1.0
  B  B24  1  0.00000000  0.48431092  0.28714657  1.0
  B  B25  1  0.00000000  0.51568908  0.71285343  1.0
  B  B26  1  0.00000000  0.01568908  0.78714657  1.0
  B  B27  1  0.00000000  0.98431092  0.21285343  1.0
  B  B28  1  0.00000000  0.25122689  0.08202659  1.0
  B  B29  1  0.00000000  0.74877311  0.91797341  1.0
  B  B30  1  0.00000000  0.24877311  0.58202659  1.0
  B  B31  1  0.00000000  0.75122689  0.41797341  1.0
  B  B32  1  0.00000000  0.29577037  0.23697067  1.0
  B  B33  1  0.00000000  0.70422963  0.76302933  1.0
  B  B34  1  0.00000000  0.20422963  0.73697067  1.0
  B  B35  1  0.00000000  0.79577037  0.26302933  1.0