# generated using pymatgen
data_ScTa9B20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19384785
_cell_length_b   7.02965080
_cell_length_c   7.31420412
_cell_angle_alpha   93.15308919
_cell_angle_beta   102.19835325
_cell_angle_gamma   116.20903016
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa9B20
_chemical_formula_sum   'Sc1 Ta9 B20'
_cell_volume   275.24828129
_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  0.00000000  0.00000000  1.0
  Ta  Ta1  1  0.50000000  0.00000000  0.00000000  1.0
  Ta  Ta2  1  0.49809579  0.79849425  0.40050681  1.0
  Ta  Ta3  1  0.00013642  0.39955032  0.20036884  1.0
  Ta  Ta4  1  0.50190421  0.20150575  0.59949319  1.0
  Ta  Ta5  1  0.99958756  0.79689034  0.39910469  1.0
  Ta  Ta6  1  0.49973801  0.60000141  0.79876493  1.0
  Ta  Ta7  1  0.50026199  0.39999859  0.20123507  1.0
  Ta  Ta8  1  0.00041244  0.20310966  0.60089531  1.0
  Ta  Ta9  1  0.99986358  0.60044968  0.79963116  1.0
  B  B10  1  0.33291806  0.23287631  0.86689747  1.0
  B  B11  1  0.33315011  0.63275077  0.06737141  1.0
  B  B12  1  0.16706609  0.36633880  0.93383751  1.0
  B  B13  1  0.33291060  0.03284884  0.26736911  1.0
  B  B14  1  0.16667615  0.76707549  0.13293114  1.0
  B  B15  1  0.83332385  0.23292451  0.86706886  1.0
  B  B16  1  0.16664092  0.16644280  0.33319463  1.0
  B  B17  1  0.83293391  0.63366120  0.06616249  1.0
  B  B18  1  0.33309894  0.43292196  0.46658725  1.0
  B  B19  1  0.66684989  0.36724923  0.93262859  1.0
  B  B20  1  0.83318831  0.03288645  0.26723879  1.0
  B  B21  1  0.66708194  0.76712369  0.13310253  1.0
  B  B22  1  0.33345714  0.83380201  0.66659399  1.0
  B  B23  1  0.16686368  0.56678593  0.53318744  1.0
  B  B24  1  0.66654286  0.16619799  0.33340601  1.0
  B  B25  1  0.83313632  0.43321407  0.46681256  1.0
  B  B26  1  0.16681169  0.96711355  0.73276121  1.0
  B  B27  1  0.83335908  0.83355720  0.66680537  1.0
  B  B28  1  0.66690106  0.56707804  0.53341275  1.0
  B  B29  1  0.66708940  0.96715116  0.73263089  1.0