# generated using pymatgen
data_ThSc5Tc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97757678
_cell_length_b   8.62932462
_cell_length_c   14.06381919
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThSc5Tc2
_chemical_formula_sum   'Th4 Sc20 Tc8'
_cell_volume   725.44625609
_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
  Th  Th0  1  0.54077853  0.75000000  0.34926230  1.0
  Th  Th1  1  0.04077853  0.25000000  0.15073770  1.0
  Th  Th2  1  0.45922147  0.25000000  0.65073770  1.0
  Th  Th3  1  0.95922147  0.75000000  0.84926230  1.0
  Sc  Sc4  1  0.80822267  0.75000000  0.11457622  1.0
  Sc  Sc5  1  0.30822267  0.25000000  0.38542378  1.0
  Sc  Sc6  1  0.19177733  0.25000000  0.88542378  1.0
  Sc  Sc7  1  0.69177733  0.75000000  0.61457622  1.0
  Sc  Sc8  1  0.43159270  0.93532995  0.79541510  1.0
  Sc  Sc9  1  0.93159270  0.06467005  0.70458490  1.0
  Sc  Sc10  1  0.56840730  0.43532995  0.20458490  1.0
  Sc  Sc11  1  0.06840730  0.56467005  0.29541510  1.0
  Sc  Sc12  1  0.56840730  0.06467005  0.20458490  1.0
  Sc  Sc13  1  0.06840730  0.93532995  0.29541510  1.0
  Sc  Sc14  1  0.43159270  0.56467005  0.79541510  1.0
  Sc  Sc15  1  0.93159270  0.43532995  0.70458490  1.0
  Sc  Sc16  1  0.24282501  0.93785032  0.53189935  1.0
  Sc  Sc17  1  0.74282501  0.06214968  0.96810065  1.0
  Sc  Sc18  1  0.75717499  0.43785032  0.46810065  1.0
  Sc  Sc19  1  0.25717499  0.56214968  0.03189935  1.0
  Sc  Sc20  1  0.75717499  0.06214968  0.46810065  1.0
  Sc  Sc21  1  0.25717499  0.93785032  0.03189935  1.0
  Sc  Sc22  1  0.24282501  0.56214968  0.53189935  1.0
  Sc  Sc23  1  0.74282501  0.43785032  0.96810065  1.0
  Tc  Tc24  1  0.91555942  0.75000000  0.45022266  1.0
  Tc  Tc25  1  0.41555942  0.25000000  0.04977734  1.0
  Tc  Tc26  1  0.08444058  0.25000000  0.54977734  1.0
  Tc  Tc27  1  0.58444058  0.75000000  0.95022266  1.0
  Tc  Tc28  1  0.36669824  0.75000000  0.18424746  1.0
  Tc  Tc29  1  0.86669824  0.25000000  0.31575254  1.0
  Tc  Tc30  1  0.63330176  0.25000000  0.81575254  1.0
  Tc  Tc31  1  0.13330176  0.75000000  0.68424746  1.0