# generated using pymatgen
data_CaTh3(Si3Pd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.30328076
_cell_length_b   8.22434358
_cell_length_c   5.91485709
_cell_angle_alpha   69.74584938
_cell_angle_beta   68.31780332
_cell_angle_gamma   41.93633460
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTh3(Si3Pd)2
_chemical_formula_sum   'Ca1 Th3 Si6 Pd2'
_cell_volume   249.18133502
_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
  Ca  Ca0  1  0.75000000  0.74999900  0.75000000  1.0
  Th  Th1  1  0.24999900  0.25000000  0.25000000  1.0
  Th  Th2  1  0.24455929  0.75544171  0.24455729  1.0
  Th  Th3  1  0.75544271  0.24455729  0.75544171  1.0
  Si  Si4  1  0.83391518  0.83391318  0.16608582  1.0
  Si  Si5  1  0.83254544  0.33313633  0.16525373  1.0
  Si  Si6  1  0.66906550  0.16525373  0.33313633  1.0
  Si  Si7  1  0.33313733  0.83254444  0.66906450  1.0
  Si  Si8  1  0.16525473  0.66906450  0.83254444  1.0
  Si  Si9  1  0.16608682  0.16608482  0.83391418  1.0
  Pd  Pd10  1  0.66677913  0.66677713  0.33322187  1.0
  Pd  Pd11  1  0.33322287  0.33322087  0.66677813  1.0