# generated using pymatgen
data_Ca2Zr(AsPd)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00165111
_cell_length_b   7.00164899
_cell_length_c   3.96543398
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.78827059
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Zr(AsPd)3
_chemical_formula_sum   'Ca2 Zr1 As3 Pd3'
_cell_volume   168.71153892
_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  0.58952466  0.99549765  0.00000000  1.0
  Ca  Ca1  1  0.99549765  0.58952466  0.00000000  1.0
  Zr  Zr2  1  0.40543666  0.40543666  0.00000000  1.0
  As  As3  1  0.33654947  0.64615018  0.50000000  1.0
  As  As4  1  0.64615018  0.33654947  0.50000000  1.0
  As  As5  1  0.02387563  0.02387563  0.00000000  1.0
  Pd  Pd6  1  0.25157790  0.99287245  0.50000000  1.0
  Pd  Pd7  1  0.99287245  0.25157790  0.50000000  1.0
  Pd  Pd8  1  0.75851439  0.75851439  0.50000000  1.0