# generated using pymatgen
data_Ca3Si4(AsPd10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.75188456
_cell_length_b   8.75188401
_cell_length_c   8.64065745
_cell_angle_alpha   60.41951935
_cell_angle_beta   60.41952139
_cell_angle_gamma   59.16095522
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Si4(AsPd10)2
_chemical_formula_sum   'Ca3 Si4 As2 Pd20'
_cell_volume   467.83892618
_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  0.25000000  0.25000000  0.25000000  1.0
  Ca  Ca1  1  0.75000000  0.75000000  0.75000000  1.0
  Ca  Ca2  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si3  1  0.73258875  0.26741125  0.26741125  1.0
  Si  Si4  1  0.26741125  0.73258875  0.73258875  1.0
  Si  Si5  1  0.26741125  0.73258875  0.26741125  1.0
  Si  Si6  1  0.73258875  0.26741125  0.73258875  1.0
  As  As7  1  0.26356856  0.26356856  0.73643144  1.0
  As  As8  1  0.73643144  0.73643144  0.26356856  1.0
  Pd  Pd9  1  0.38733292  0.38733292  0.38069990  1.0
  Pd  Pd10  1  0.61266708  0.61266708  0.61930010  1.0
  Pd  Pd11  1  0.38733292  0.38733292  0.84463626  1.0
  Pd  Pd12  1  0.38069990  0.84463626  0.38733292  1.0
  Pd  Pd13  1  0.61266708  0.61266708  0.15536374  1.0
  Pd  Pd14  1  0.61930010  0.15536374  0.61266708  1.0
  Pd  Pd15  1  0.84463626  0.38069990  0.38733292  1.0
  Pd  Pd16  1  0.15536374  0.61930010  0.61266708  1.0
  Pd  Pd17  1  0.34696546  0.99095786  0.00904214  1.0
  Pd  Pd18  1  0.65303454  0.00904214  0.99095786  1.0
  Pd  Pd19  1  0.99095786  0.34696546  0.65303454  1.0
  Pd  Pd20  1  0.00904214  0.65303454  0.34696546  1.0
  Pd  Pd21  1  0.99095786  0.34696546  0.00904214  1.0
  Pd  Pd22  1  0.65303454  0.00904214  0.34696546  1.0
  Pd  Pd23  1  0.00904214  0.65303454  0.99095786  1.0
  Pd  Pd24  1  0.34696546  0.99095786  0.65303454  1.0
  Pd  Pd25  1  1.00000000  1.00000000  0.34642642  1.0
  Pd  Pd26  1  0.00000000  0.00000000  0.65357358  1.0
  Pd  Pd27  1  0.65357358  0.34642642  1.00000000  1.0
  Pd  Pd28  1  0.34642642  0.65357358  0.00000000  1.0