# generated using pymatgen
data_Sc8Al(NiB8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85692755
_cell_length_b   11.16382257
_cell_length_c   3.37665985
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.85895498
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8Al(NiB8)3
_chemical_formula_sum   'Sc8 Al1 Ni3 B24'
_cell_volume   333.87355046
_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
  Sc  Sc0  1  0.17776804  0.08511123  0.00000000  1.0
  Sc  Sc1  1  0.55190723  0.12836195  0.00000000  1.0
  Sc  Sc2  1  0.05778069  0.37335371  0.00000000  1.0
  Sc  Sc3  1  0.67743305  0.41511089  0.00000000  1.0
  Sc  Sc4  1  0.32439839  0.58484536  0.00000000  1.0
  Sc  Sc5  1  0.94464130  0.63061635  0.00000000  1.0
  Sc  Sc6  1  0.44271495  0.86950200  0.00000000  1.0
  Sc  Sc7  1  0.82166015  0.91402877  0.00000000  1.0
  Al  Al8  1  0.85881077  0.18022617  0.00000000  1.0
  Ni  Ni9  1  0.35746474  0.31917642  0.00000000  1.0
  Ni  Ni10  1  0.64298326  0.68156201  0.00000000  1.0
  Ni  Ni11  1  0.14279581  0.81842988  0.00000000  1.0
  B  B12  1  0.39750882  0.02633284  0.50000000  1.0
  B  B13  1  0.94785041  0.06341260  0.50000000  1.0
  B  B14  1  0.74588210  0.07800191  0.50000000  1.0
  B  B15  1  0.36525419  0.18148664  0.50000000  1.0
  B  B16  1  0.02116103  0.21291306  0.50000000  1.0
  B  B17  1  0.69966592  0.23913401  0.50000000  1.0
  B  B18  1  0.20471179  0.26144462  0.50000000  1.0
  B  B19  1  0.51578180  0.28940270  0.50000000  1.0
  B  B20  1  0.86699364  0.32053679  0.50000000  1.0
  B  B21  1  0.25098284  0.41969845  0.50000000  1.0
  B  B22  1  0.44712941  0.43599124  0.50000000  1.0
  B  B23  1  0.89804273  0.47350646  0.50000000  1.0
  B  B24  1  0.10212396  0.52781472  0.50000000  1.0
  B  B25  1  0.55462064  0.56444408  0.50000000  1.0
  B  B26  1  0.75085425  0.57997922  0.50000000  1.0
  B  B27  1  0.13481873  0.68104714  0.50000000  1.0
  B  B28  1  0.48438516  0.71172704  0.50000000  1.0
  B  B29  1  0.79562965  0.73829105  0.50000000  1.0
  B  B30  1  0.29637433  0.76018136  0.50000000  1.0
  B  B31  1  0.98406865  0.78915496  0.50000000  1.0
  B  B32  1  0.63377026  0.81908082  0.50000000  1.0
  B  B33  1  0.24897332  0.91907408  0.50000000  1.0
  B  B34  1  0.05249678  0.93517295  0.50000000  1.0
  B  B35  1  0.60055322  0.97183653  0.50000000  1.0