# generated using pymatgen
data_Ca5Pr3(Si3Pd)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25642718
_cell_length_b   8.24251702
_cell_length_c   8.52182618
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.05584937
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Pr3(Si3Pd)4
_chemical_formula_sum   'Ca5 Pr3 Si12 Pd4'
_cell_volume   501.96175083
_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  0.49952685  0.50050009  0.75000000  1.0
  Ca  Ca1  1  0.50049182  0.49968003  0.25000000  1.0
  Ca  Ca2  1  0.00097224  0.50050009  0.75000000  1.0
  Ca  Ca3  1  0.99918720  0.49968003  0.25000000  1.0
  Ca  Ca4  1  0.49944950  0.99890000  0.75000000  1.0
  Pr  Pr5  1  0.50043868  0.00087737  0.25000000  1.0
  Pr  Pr6  1  0.99993843  0.99987686  0.75000000  1.0
  Pr  Pr7  1  0.00003962  0.00007923  0.25000000  1.0
  Si  Si8  1  0.83547327  0.16626080  0.99976946  1.0
  Si  Si9  1  0.16450074  0.83371365  0.00083436  1.0
  Si  Si10  1  0.33078853  0.16626080  0.99976946  1.0
  Si  Si11  1  0.16450074  0.83371365  0.49916564  1.0
  Si  Si12  1  0.66921392  0.83371365  0.00083436  1.0
  Si  Si13  1  0.83547327  0.16626080  0.50023054  1.0
  Si  Si14  1  0.83373833  0.66747765  0.00008173  1.0
  Si  Si15  1  0.66921392  0.83371365  0.49916564  1.0
  Si  Si16  1  0.16622568  0.33245137  0.00092419  1.0
  Si  Si17  1  0.33078853  0.16626080  0.50023054  1.0
  Si  Si18  1  0.16622568  0.33245137  0.49907581  1.0
  Si  Si19  1  0.83373833  0.66747765  0.49991827  1.0
  Pd  Pd20  1  0.66636261  0.33272423  0.99713052  1.0
  Pd  Pd21  1  0.33367525  0.66735150  0.99900206  1.0
  Pd  Pd22  1  0.33367525  0.66735150  0.50099794  1.0
  Pd  Pd23  1  0.66636261  0.33272423  0.50286948  1.0