# generated using pymatgen
data_Sc3Pa(Ta3Ge4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87701469
_cell_length_b   7.02437291
_cell_length_c   13.29526172
_cell_angle_alpha   90.12722460
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Pa(Ta3Ge4)2
_chemical_formula_sum   'Sc6 Pa2 Ta12 Ge16'
_cell_volume   642.24884503
_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  0.50951414  0.32272314  0.09733608  1.0
  Sc  Sc1  1  0.00951414  0.17727686  0.40266392  1.0
  Sc  Sc2  1  0.50838135  0.32386575  0.40415055  1.0
  Sc  Sc3  1  0.00838135  0.17613425  0.09584945  1.0
  Sc  Sc4  1  0.48668244  0.67902343  0.90730595  1.0
  Sc  Sc5  1  0.98668244  0.82097657  0.59269405  1.0
  Pa  Pa6  1  0.49540524  0.67339726  0.59053005  1.0
  Pa  Pa7  1  0.99540524  0.82660274  0.90946995  1.0
  Ta  Ta8  1  0.64780175  0.17020740  0.62619956  1.0
  Ta  Ta9  1  0.14780175  0.32979260  0.87380044  1.0
  Ta  Ta10  1  0.33963883  0.83242773  0.12543332  1.0
  Ta  Ta11  1  0.83963883  0.66757227  0.37456668  1.0
  Ta  Ta12  1  0.34737375  0.82930891  0.37411982  1.0
  Ta  Ta13  1  0.84737375  0.67069109  0.12588018  1.0
  Ta  Ta14  1  0.66453955  0.16463904  0.87538811  1.0
  Ta  Ta15  1  0.16453955  0.33536096  0.62461189  1.0
  Ta  Ta16  1  0.83172017  0.49175103  0.75161259  1.0
  Ta  Ta17  1  0.33172017  0.00824897  0.74838741  1.0
  Ta  Ta18  1  0.16733360  0.51110320  0.24886639  1.0
  Ta  Ta19  1  0.66733360  0.98889680  0.25113361  1.0
  Ge  Ge20  1  0.68621212  0.96909119  0.45736712  1.0
  Ge  Ge21  1  0.18621212  0.53090881  0.04263288  1.0
  Ge  Ge22  1  0.32776826  0.04684526  0.96158365  1.0
  Ge  Ge23  1  0.82776826  0.45315474  0.53841635  1.0
  Ge  Ge24  1  0.30852339  0.03988140  0.53797010  1.0
  Ge  Ge25  1  0.80852339  0.46011860  0.96202990  1.0
  Ge  Ge26  1  0.67877310  0.96456411  0.04528351  1.0
  Ge  Ge27  1  0.17877310  0.53543589  0.45471649  1.0
  Ge  Ge28  1  0.45735966  0.38255285  0.75560624  1.0
  Ge  Ge29  1  0.95735966  0.11744715  0.74439376  1.0
  Ge  Ge30  1  0.54301506  0.61365581  0.24828690  1.0
  Ge  Ge31  1  0.04301506  0.88634419  0.25171310  1.0
  Ge  Ge32  1  0.69123472  0.85652788  0.75267364  1.0
  Ge  Ge33  1  0.19123472  0.64347212  0.74732636  1.0
  Ge  Ge34  1  0.30872187  0.14783655  0.24963747  1.0
  Ge  Ge35  1  0.80872187  0.35216345  0.25036253  1.0