# generated using pymatgen
data_Ca3Yb(Al3Pd)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.60527052
_cell_length_b   7.60546098
_cell_length_c   9.48060400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.52323340
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Yb(Al3Pd)6
_chemical_formula_sum   'Ca3 Yb1 Al18 Pd6'
_cell_volume   477.17019469
_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  0.99592085  0.67104470  0.25000000  1.0
  Ca  Ca1  1  0.00398864  0.32908682  0.75000000  1.0
  Ca  Ca2  1  0.67075955  0.99567979  0.25000000  1.0
  Yb  Yb3  1  0.32894559  0.00371712  0.75000000  1.0
  Al  Al4  1  0.13273266  0.13241279  0.25000000  1.0
  Al  Al5  1  0.86843582  0.86762503  0.75000000  1.0
  Al  Al6  1  0.00209237  0.33505025  0.07521692  1.0
  Al  Al7  1  0.99873241  0.66530893  0.92330689  1.0
  Al  Al8  1  0.99873241  0.66530893  0.57669311  1.0
  Al  Al9  1  0.33507295  0.00220946  0.42556255  1.0
  Al  Al10  1  0.00209237  0.33505025  0.42478308  1.0
  Al  Al11  1  0.66449158  0.99831287  0.57667418  1.0
  Al  Al12  1  0.66449158  0.99831287  0.92332582  1.0
  Al  Al13  1  0.33507295  0.00220946  0.07443745  1.0
  Al  Al14  1  0.33384850  0.33352614  0.55303162  1.0
  Al  Al15  1  0.66585662  0.66581026  0.44956916  1.0
  Al  Al16  1  0.66585662  0.66581026  0.05043084  1.0
  Al  Al17  1  0.33384850  0.33352614  0.94696838  1.0
  Al  Al18  1  0.34110518  0.54470305  0.25000000  1.0
  Al  Al19  1  0.65772209  0.45418747  0.75000000  1.0
  Al  Al20  1  0.54456308  0.34080794  0.25000000  1.0
  Al  Al21  1  0.45524415  0.65996805  0.75000000  1.0
  Pd  Pd22  1  0.67119861  0.32808874  0.99951430  1.0
  Pd  Pd23  1  0.32836410  0.67192925  0.99958774  1.0
  Pd  Pd24  1  0.32836410  0.67192925  0.50041226  1.0
  Pd  Pd25  1  0.67119861  0.32808874  0.50048570  1.0
  Pd  Pd26  1  0.00063507  0.00014822  0.99935476  1.0
  Pd  Pd27  1  0.00063507  0.00014822  0.50064524  1.0