# generated using pymatgen
data_Sc8Be(NiB8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35555093
_cell_length_b   8.82866385
_cell_length_c   11.12820578
_cell_angle_alpha   90.03154585
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8Be(NiB8)3
_chemical_formula_sum   'Sc8 Be1 Ni3 B24'
_cell_volume   329.67339365
_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  0.00000000  0.94517032  0.37019172  1.0
  Sc  Sc1  1  0.00000000  0.05550269  0.62991193  1.0
  Sc  Sc2  1  0.00000000  0.55637269  0.87052531  1.0
  Sc  Sc3  1  0.00000000  0.17708531  0.91705354  1.0
  Sc  Sc4  1  0.00000000  0.82564794  0.08555616  1.0
  Sc  Sc5  1  0.00000000  0.67591895  0.58470861  1.0
  Sc  Sc6  1  0.00000000  0.32147104  0.41328694  1.0
  Sc  Sc7  1  0.00000000  0.44346335  0.12950476  1.0
  Be  Be8  1  0.00000000  0.14052737  0.17904079  1.0
  Ni  Ni9  1  0.00000000  0.35699306  0.68160554  1.0
  Ni  Ni10  1  0.00000000  0.85683274  0.81817355  1.0
  Ni  Ni11  1  0.00000000  0.64319059  0.31875859  1.0
  B  B12  1  0.50000000  0.36536016  0.81930944  1.0
  B  B13  1  0.50000000  0.98352643  0.21186768  1.0
  B  B14  1  0.50000000  0.55308256  0.43496466  1.0
  B  B15  1  0.50000000  0.29715083  0.23808877  1.0
  B  B16  1  0.50000000  0.20351150  0.73915909  1.0
  B  B17  1  0.50000000  0.10301522  0.47235511  1.0
  B  B18  1  0.50000000  0.79693666  0.26069873  1.0
  B  B19  1  0.50000000  0.44617395  0.56428043  1.0
  B  B20  1  0.50000000  0.24992204  0.58002380  1.0
  B  B21  1  0.50000000  0.48209449  0.28904829  1.0
  B  B22  1  0.50000000  0.70316683  0.76043894  1.0
  B  B23  1  0.50000000  0.75050602  0.41895069  1.0
  B  B24  1  0.50000000  0.51586671  0.71180679  1.0
  B  B25  1  0.50000000  0.89826451  0.52701187  1.0
  B  B26  1  0.50000000  0.05402383  0.06577190  1.0
  B  B27  1  0.50000000  0.60178362  0.02701497  1.0
  B  B28  1  0.50000000  0.75110042  0.91996196  1.0
  B  B29  1  0.50000000  0.01620143  0.78967331  1.0
  B  B30  1  0.50000000  0.39750592  0.97284527  1.0
  B  B31  1  0.50000000  0.94813121  0.93657295  1.0
  B  B32  1  0.50000000  0.63436564  0.18151615  1.0
  B  B33  1  0.50000000  0.25110114  0.08066788  1.0
  B  B34  1  0.50000000  0.86508256  0.68114153  1.0
  B  B35  1  0.50000000  0.13395526  0.31851134  1.0