# generated using pymatgen
data_Zr3Al3Pd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34705591
_cell_length_b   7.34705508
_cell_length_c   6.73014629
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999933
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Al3Pd2Ru
_chemical_formula_sum   'Zr6 Al6 Pd4 Ru2'
_cell_volume   314.61670563
_cell_formula_units_Z   2
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
  Zr  Zr0  1  0.74282519  0.06222249  0.00000000  1.0
  Zr  Zr1  1  0.31939829  0.25717481  0.00000000  1.0
  Zr  Zr2  1  0.93777751  0.68060171  0.00000000  1.0
  Zr  Zr3  1  0.31983874  0.25730666  0.50000000  1.0
  Zr  Zr4  1  0.74269334  0.06253208  0.50000000  1.0
  Zr  Zr5  1  0.93746792  0.68016126  0.50000000  1.0
  Al  Al6  1  0.59449093  0.66367776  0.74996337  1.0
  Al  Al7  1  0.06918683  0.40550907  0.74996337  1.0
  Al  Al8  1  0.33632224  0.93081317  0.74996337  1.0
  Al  Al9  1  0.59449093  0.66367776  0.25003663  1.0
  Al  Al10  1  0.06918683  0.40550907  0.25003663  1.0
  Al  Al11  1  0.33632224  0.93081317  0.25003663  1.0
  Pd  Pd12  1  0.33333300  0.66666700  0.00000000  1.0
  Pd  Pd13  1  0.33333300  0.66666700  0.50000000  1.0
  Pd  Pd14  1  0.66666700  0.33333300  0.75045283  1.0
  Pd  Pd15  1  0.66666700  0.33333300  0.24954717  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.25016832  1.0
  Ru  Ru17  1  0.00000000  0.00000000  0.74983168  1.0