# generated using pymatgen
data_CrPPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.60129400
_cell_length_b   6.42155769
_cell_length_c   6.42155769
_cell_angle_alpha   119.99999679
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPPd
_chemical_formula_sum   'Cr3 P3 Pd3'
_cell_volume   128.60859686
_cell_formula_units_Z   3
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
  Cr  Cr0  1  0.50000000  0.60591700  0.00000000  1.0
  Cr  Cr1  1  0.50000000  0.39408300  0.39408300  1.0
  Cr  Cr2  1  0.50000000  0.00000000  0.60591700  1.0
  P  P3  1  0.00000000  0.33333300  0.66666700  1.0
  P  P4  1  0.00000000  0.66666700  0.33333300  1.0
  P  P5  1  0.50000000  0.00000000  0.00000000  1.0
  Pd  Pd6  1  0.00000000  0.26897700  0.00000000  1.0
  Pd  Pd7  1  0.00000000  0.73102300  0.73102300  1.0
  Pd  Pd8  1  0.00000000  0.00000000  0.26897700  1.0