# generated using pymatgen
data_Ca5Zr3(As3Pd4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.52768469
_cell_length_b   13.52768405
_cell_length_c   4.10144449
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000394
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Zr3(As3Pd4)4
_chemical_formula_sum   'Ca5 Zr3 As12 Pd16'
_cell_volume   650.00152596
_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  0.18587772  0.18587772  0.50000000  1.0
  Ca  Ca1  1  0.81412228  0.00000000  0.50000000  1.0
  Ca  Ca2  1  0.00000000  0.81412228  0.50000000  1.0
  Ca  Ca3  1  0.33333300  0.66666700  0.00000000  1.0
  Ca  Ca4  1  0.66666700  0.33333300  0.00000000  1.0
  Zr  Zr5  1  0.55372852  0.55372852  0.00000000  1.0
  Zr  Zr6  1  0.44627148  0.00000000  0.00000000  1.0
  Zr  Zr7  1  0.00000000  0.44627148  0.00000000  1.0
  As  As8  1  0.82452701  0.82452701  0.00000000  1.0
  As  As9  1  0.17547299  1.00000000  0.00000000  1.0
  As  As10  1  1.00000000  0.17547299  0.00000000  1.0
  As  As11  1  0.16388977  0.48043839  0.50000000  1.0
  As  As12  1  0.51956161  0.68345038  0.50000000  1.0
  As  As13  1  0.31654962  0.83611023  0.50000000  1.0
  As  As14  1  0.68345038  0.51956161  0.50000000  1.0
  As  As15  1  0.83611023  0.31654962  0.50000000  1.0
  As  As16  1  0.48043839  0.16388977  0.50000000  1.0
  As  As17  1  0.35699971  0.35699971  0.00000000  1.0
  As  As18  1  0.64300029  0.00000000  0.00000000  1.0
  As  As19  1  0.00000000  0.64300029  0.00000000  1.0
  Pd  Pd20  1  0.72358164  0.72358164  0.50000000  1.0
  Pd  Pd21  1  0.27641836  1.00000000  0.50000000  1.0
  Pd  Pd22  1  1.00000000  0.27641836  0.50000000  1.0
  Pd  Pd23  1  0.18374714  0.37835792  0.00000000  1.0
  Pd  Pd24  1  0.62164208  0.80538922  0.00000000  1.0
  Pd  Pd25  1  0.19461078  0.81625286  0.00000000  1.0
  Pd  Pd26  1  0.80538922  0.62164208  0.00000000  1.0
  Pd  Pd27  1  0.81625286  0.19461078  0.00000000  1.0
  Pd  Pd28  1  0.37835792  0.18374714  0.00000000  1.0
  Pd  Pd29  1  0.35726814  0.48591375  0.50000000  1.0
  Pd  Pd30  1  0.51408625  0.87135438  0.50000000  1.0
  Pd  Pd31  1  0.12864562  0.64273186  0.50000000  1.0
  Pd  Pd32  1  0.87135438  0.51408625  0.50000000  1.0
  Pd  Pd33  1  0.64273186  0.12864562  0.50000000  1.0
  Pd  Pd34  1  0.48591375  0.35726814  0.50000000  1.0
  Pd  Pd35  1  0.00000000  0.00000000  0.00000000  1.0