# generated using pymatgen
data_Ca5Th3(Si3Pd)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24370262
_cell_length_b   8.21087415
_cell_length_c   8.47772123
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.13234675
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Th3(Si3Pd)4
_chemical_formula_sum   'Ca5 Th3 Si12 Pd4'
_cell_volume   496.29596991
_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  0.49969878  0.50030122  0.75000000  1.0
  Ca  Ca1  1  0.50028929  0.49979723  0.25000000  1.0
  Ca  Ca2  1  0.00060244  0.50030122  0.75000000  1.0
  Ca  Ca3  1  0.99950695  0.49979723  0.25000000  1.0
  Ca  Ca4  1  0.49969224  0.99938349  0.75000000  1.0
  Th  Th5  1  0.50021729  0.00043558  0.25000000  1.0
  Th  Th6  1  0.99998570  0.99997240  0.75000000  1.0
  Th  Th7  1  0.00001757  0.00003614  0.25000000  1.0
  Si  Si8  1  0.83631288  0.16628778  0.99975931  1.0
  Si  Si9  1  0.16368002  0.83370437  0.00013795  1.0
  Si  Si10  1  0.32997490  0.16628778  0.99975931  1.0
  Si  Si11  1  0.16368002  0.83370437  0.49986205  1.0
  Si  Si12  1  0.67002335  0.83370437  0.00013795  1.0
  Si  Si13  1  0.83631288  0.16628778  0.50024069  1.0
  Si  Si14  1  0.83301910  0.66603921  0.00211948  1.0
  Si  Si15  1  0.67002335  0.83370437  0.49986205  1.0
  Si  Si16  1  0.16696300  0.33392499  0.00244228  1.0
  Si  Si17  1  0.32997490  0.16628778  0.50024069  1.0
  Si  Si18  1  0.16696300  0.33392499  0.49755772  1.0
  Si  Si19  1  0.83301910  0.66603921  0.49788052  1.0
  Pd  Pd20  1  0.66488723  0.32977446  0.00243340  1.0
  Pd  Pd21  1  0.33513240  0.67026681  0.00352870  1.0
  Pd  Pd22  1  0.33513240  0.67026681  0.49647130  1.0
  Pd  Pd23  1  0.66488723  0.32977446  0.49756660  1.0