# generated using pymatgen
data_Sc2Tc3B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05745275
_cell_length_b   6.05745275
_cell_length_c   11.17558685
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Tc3B4
_chemical_formula_sum   'Sc8 Tc12 B16'
_cell_volume   410.06283379
_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
  Sc  Sc0  1  0.99431284  0.65225665  0.03993158  1.0
  Sc  Sc1  1  0.00568716  0.34774335  0.53993158  1.0
  Sc  Sc2  1  0.34774335  0.00568716  0.46006842  1.0
  Sc  Sc3  1  0.15225665  0.50568716  0.78993158  1.0
  Sc  Sc4  1  0.84774335  0.49431284  0.28993158  1.0
  Sc  Sc5  1  0.50568716  0.15225665  0.21006842  1.0
  Sc  Sc6  1  0.49431284  0.84774335  0.71006842  1.0
  Sc  Sc7  1  0.65225665  0.99431284  0.96006842  1.0
  Tc  Tc8  1  0.67502433  0.67502433  0.50000000  1.0
  Tc  Tc9  1  0.17502433  0.82497567  0.25000000  1.0
  Tc  Tc10  1  0.32497567  0.32497567  0.00000000  1.0
  Tc  Tc11  1  0.00358764  0.85243230  0.62507029  1.0
  Tc  Tc12  1  0.99641236  0.14756770  0.12507029  1.0
  Tc  Tc13  1  0.85243230  0.00358764  0.37492971  1.0
  Tc  Tc14  1  0.35243230  0.49641236  0.37507029  1.0
  Tc  Tc15  1  0.64756770  0.50358764  0.87507029  1.0
  Tc  Tc16  1  0.49641236  0.35243230  0.62492971  1.0
  Tc  Tc17  1  0.50358764  0.64756770  0.12492971  1.0
  Tc  Tc18  1  0.14756770  0.99641236  0.87492971  1.0
  Tc  Tc19  1  0.82497567  0.17502433  0.75000000  1.0
  B  B20  1  0.06435662  0.71038451  0.44292299  1.0
  B  B21  1  0.64303363  0.29001980  0.44195059  1.0
  B  B22  1  0.35696637  0.70998020  0.94195059  1.0
  B  B23  1  0.20998020  0.14303363  0.69195059  1.0
  B  B24  1  0.29001980  0.64303363  0.55804941  1.0
  B  B25  1  0.70998020  0.35696637  0.05804941  1.0
  B  B26  1  0.79001980  0.85696637  0.19195059  1.0
  B  B27  1  0.14303363  0.20998020  0.30804941  1.0
  B  B28  1  0.93564338  0.28961549  0.94292299  1.0
  B  B29  1  0.71038451  0.06435662  0.55707701  1.0
  B  B30  1  0.21038451  0.43564338  0.19292299  1.0
  B  B31  1  0.78961549  0.56435662  0.69292299  1.0
  B  B32  1  0.43564338  0.21038451  0.80707701  1.0
  B  B33  1  0.56435662  0.78961549  0.30707701  1.0
  B  B34  1  0.28961549  0.93564338  0.05707701  1.0
  B  B35  1  0.85696637  0.79001980  0.80804941  1.0