# generated using pymatgen
data_Th3ScPd12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84969528
_cell_length_b   5.84969452
_cell_length_c   9.62004222
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999876
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3ScPd12
_chemical_formula_sum   'Th3 Sc1 Pd12'
_cell_volume   285.08478900
_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
  Th  Th0  1  0.00000000  0.00000000  0.49334132  1.0
  Th  Th1  1  0.00000000  0.00000000  0.00665868  1.0
  Th  Th2  1  0.66666700  0.33333300  0.75000000  1.0
  Sc  Sc3  1  0.33333300  0.66666700  0.25000000  1.0
  Pd  Pd4  1  0.49786167  0.50213833  0.49516461  1.0
  Pd  Pd5  1  0.49786167  0.99572234  0.49516461  1.0
  Pd  Pd6  1  0.00427766  0.50213833  0.49516461  1.0
  Pd  Pd7  1  0.49786167  0.50213833  0.00483539  1.0
  Pd  Pd8  1  0.49786167  0.99572234  0.00483539  1.0
  Pd  Pd9  1  0.00427766  0.50213833  0.00483539  1.0
  Pd  Pd10  1  0.82456798  0.64913596  0.25000000  1.0
  Pd  Pd11  1  0.35086404  0.17543202  0.25000000  1.0
  Pd  Pd12  1  0.82456798  0.17543202  0.25000000  1.0
  Pd  Pd13  1  0.17431474  0.34863047  0.75000000  1.0
  Pd  Pd14  1  0.65136953  0.82568526  0.75000000  1.0
  Pd  Pd15  1  0.17431474  0.82568526  0.75000000  1.0