# generated using pymatgen
data_ScBeB14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12424128
_cell_length_b   7.12424056
_cell_length_c   7.12424108
_cell_angle_alpha   132.40439323
_cell_angle_beta   110.69644093
_cell_angle_gamma   88.40835547
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeB14
_chemical_formula_sum   'Sc2 Be2 B28'
_cell_volume   237.88210477
_cell_formula_units_Z   2
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  0.10461498  0.75000000  0.35461498  1.0
  Sc  Sc1  1  0.89538502  0.25000000  0.64538502  1.0
  Be  Be2  1  0.50000000  0.50000000  0.50000000  1.0
  Be  Be3  1  0.50000000  0.00000000  0.00000000  1.0
  B  B4  1  0.13291764  0.16679276  0.96612388  1.0
  B  B5  1  0.86708236  0.83320724  0.03387612  1.0
  B  B6  1  0.70066988  0.66679276  0.03387612  1.0
  B  B7  1  0.29933012  0.33320724  0.96612388  1.0
  B  B8  1  0.28661948  0.65708573  0.62953475  1.0
  B  B9  1  0.71338052  0.34291427  0.37046525  1.0
  B  B10  1  0.52755097  0.15708573  0.37046525  1.0
  B  B11  1  0.47244903  0.84291427  0.62953475  1.0
  B  B12  1  0.42216943  0.59183058  0.83033886  1.0
  B  B13  1  0.57783057  0.40816942  0.16966114  1.0
  B  B14  1  0.26149072  0.09183058  0.16966114  1.0
  B  B15  1  0.73850928  0.90816942  0.83033886  1.0
  B  B16  1  0.89889307  0.89925757  0.67636641  1.0
  B  B17  1  0.10110693  0.77747234  0.00036450  1.0
  B  B18  1  0.72289216  0.39925757  0.00036450  1.0
  B  B19  1  0.27710784  0.27747234  0.67636641  1.0
  B  B20  1  0.10110693  0.10074243  0.32363359  1.0
  B  B21  1  0.89889307  0.22252766  0.99963550  1.0
  B  B22  1  0.27710784  0.60074243  0.99963550  1.0
  B  B23  1  0.72289216  0.72252766  0.32363359  1.0
  B  B24  1  0.53526503  0.32955823  0.70082571  1.0
  B  B25  1  0.46473497  0.16556167  0.79429420  1.0
  B  B26  1  0.12873353  0.82955823  0.79429420  1.0
  B  B27  1  0.87126647  0.66556167  0.70082571  1.0
  B  B28  1  0.46473497  0.67044177  0.29917429  1.0
  B  B29  1  0.53526503  0.83443833  0.20570580  1.0
  B  B30  1  0.87126647  0.17044177  0.20570580  1.0
  B  B31  1  0.12873353  0.33443833  0.29917429  1.0