# generated using pymatgen
data_Ca3Si(AsPd4)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77890794
_cell_length_b   8.77890835
_cell_length_c   8.82495515
_cell_angle_alpha   59.82633192
_cell_angle_beta   59.82633036
_cell_angle_gamma   60.34732828
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Si(AsPd4)5
_chemical_formula_sum   'Ca3 Si1 As5 Pd20'
_cell_volume   480.89965317
_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  0.24943637  0.24943637  0.25056363  1.0
  Ca  Ca1  1  0.74943637  0.74943637  0.75056363  1.0
  Ca  Ca2  1  0.00067223  0.00067223  0.99932777  1.0
  Si  Si3  1  0.73373235  0.73373335  0.26626765  1.0
  As  As4  1  0.73696336  0.26358997  0.26303664  1.0
  As  As5  1  0.26358997  0.73696436  0.73640903  1.0
  As  As6  1  0.26359097  0.73696336  0.26303564  1.0
  As  As7  1  0.73696336  0.26359097  0.73640903  1.0
  As  As8  1  0.26427763  0.26427763  0.73572237  1.0
  Pd  Pd9  1  0.38519507  0.38519507  0.38276456  1.0
  Pd  Pd10  1  0.61840470  0.61840470  0.60932709  1.0
  Pd  Pd11  1  0.38519507  0.38519507  0.84684231  1.0
  Pd  Pd12  1  0.39067291  0.84613448  0.38159530  1.0
  Pd  Pd13  1  0.61840470  0.61840470  0.15386552  1.0
  Pd  Pd14  1  0.61723544  0.15315769  0.61480493  1.0
  Pd  Pd15  1  0.84613448  0.39067291  0.38159530  1.0
  Pd  Pd16  1  0.15315769  0.61723544  0.61480493  1.0
  Pd  Pd17  1  0.35138575  0.00139337  0.99860663  1.0
  Pd  Pd18  1  0.65420069  0.99245835  0.00754165  1.0
  Pd  Pd19  1  0.00139337  0.35138575  0.64861425  1.0
  Pd  Pd20  1  0.99245835  0.65420069  0.34579931  1.0
  Pd  Pd21  1  0.00139337  0.35138575  0.99860663  1.0
  Pd  Pd22  1  0.65420069  0.99245835  0.34579931  1.0
  Pd  Pd23  1  0.99245835  0.65420069  0.00754165  1.0
  Pd  Pd24  1  0.35138575  0.00139337  0.64861425  1.0
  Pd  Pd25  1  0.99701476  0.99701476  0.35159199  1.0
  Pd  Pd26  1  0.99701476  0.99701476  0.65437848  1.0
  Pd  Pd27  1  0.64840801  0.34562152  0.00298524  1.0
  Pd  Pd28  1  0.34562152  0.64840801  0.00298524  1.0