# generated using pymatgen
data_Sc2Nb3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.70986169
_cell_length_b   6.90897620
_cell_length_c   13.13671008
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Nb3Si4
_chemical_formula_sum   'Sc8 Nb12 Si16'
_cell_volume   608.99521483
_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  0.50275232  0.67425999  0.59629802  1.0
  Sc  Sc1  1  0.00275232  0.82574001  0.90370198  1.0
  Sc  Sc2  1  0.49724768  0.32574001  0.09629802  1.0
  Sc  Sc3  1  0.99724768  0.17425999  0.40370198  1.0
  Sc  Sc4  1  0.49724768  0.32574001  0.40370198  1.0
  Sc  Sc5  1  0.99724768  0.17425999  0.09629802  1.0
  Sc  Sc6  1  0.50275232  0.67425999  0.90370198  1.0
  Sc  Sc7  1  0.00275232  0.82574001  0.59629802  1.0
  Nb  Nb8  1  0.66326677  0.17654942  0.62492330  1.0
  Nb  Nb9  1  0.16326677  0.32345058  0.87507670  1.0
  Nb  Nb10  1  0.33673323  0.82345058  0.12492330  1.0
  Nb  Nb11  1  0.83673323  0.67654942  0.37507670  1.0
  Nb  Nb12  1  0.33673323  0.82345058  0.37507670  1.0
  Nb  Nb13  1  0.83673323  0.67654942  0.12492330  1.0
  Nb  Nb14  1  0.66326677  0.17654942  0.87507670  1.0
  Nb  Nb15  1  0.16326677  0.32345058  0.62492330  1.0
  Nb  Nb16  1  0.83765191  0.49495091  0.75000000  1.0
  Nb  Nb17  1  0.33765191  0.00504909  0.75000000  1.0
  Nb  Nb18  1  0.16234809  0.50504909  0.25000000  1.0
  Nb  Nb19  1  0.66234809  0.99495091  0.25000000  1.0
  Si  Si20  1  0.66717006  0.96787343  0.46101814  1.0
  Si  Si21  1  0.16717006  0.53212657  0.03898186  1.0
  Si  Si22  1  0.33282994  0.03212657  0.96101814  1.0
  Si  Si23  1  0.83282994  0.46787343  0.53898186  1.0
  Si  Si24  1  0.33282994  0.03212657  0.53898186  1.0
  Si  Si25  1  0.83282994  0.46787343  0.96101814  1.0
  Si  Si26  1  0.66717006  0.96787343  0.03898186  1.0
  Si  Si27  1  0.16717006  0.53212657  0.46101814  1.0
  Si  Si28  1  0.45976870  0.38696912  0.75000000  1.0
  Si  Si29  1  0.95976870  0.11303088  0.75000000  1.0
  Si  Si30  1  0.54023130  0.61303088  0.25000000  1.0
  Si  Si31  1  0.04023130  0.88696912  0.25000000  1.0
  Si  Si32  1  0.70584111  0.86513464  0.75000000  1.0
  Si  Si33  1  0.20584111  0.63486536  0.75000000  1.0
  Si  Si34  1  0.29415889  0.13486536  0.25000000  1.0
  Si  Si35  1  0.79415889  0.36513464  0.25000000  1.0