# generated using pymatgen
data_CaPa3(Al3Rh)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57308989
_cell_length_b   7.57965730
_cell_length_c   9.31584349
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.48093196
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPa3(Al3Rh)6
_chemical_formula_sum   'Ca1 Pa3 Al18 Rh6'
_cell_volume   465.50396291
_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  0.32851848  0.00834588  0.75000000  1.0
  Pa  Pa1  1  0.99616562  0.67367915  0.25000000  1.0
  Pa  Pa2  1  0.99838109  0.32414817  0.75000000  1.0
  Pa  Pa3  1  0.67669080  0.99733861  0.25000000  1.0
  Al  Al4  1  0.13636678  0.13224119  0.25000000  1.0
  Al  Al5  1  0.86804997  0.87193169  0.75000000  1.0
  Al  Al6  1  0.00460979  0.33617298  0.07687119  1.0
  Al  Al7  1  0.00136780  0.66792734  0.92094831  1.0
  Al  Al8  1  0.00136780  0.66792734  0.57905169  1.0
  Al  Al9  1  0.33673438  0.00370127  0.42776126  1.0
  Al  Al10  1  0.00460979  0.33617298  0.42312881  1.0
  Al  Al11  1  0.65924744  0.99508306  0.57698955  1.0
  Al  Al12  1  0.65924744  0.99508306  0.92301045  1.0
  Al  Al13  1  0.33673438  0.00370127  0.07223874  1.0
  Al  Al14  1  0.33310594  0.33224821  0.55036401  1.0
  Al  Al15  1  0.66431620  0.66351851  0.45669566  1.0
  Al  Al16  1  0.66431620  0.66351851  0.04330434  1.0
  Al  Al17  1  0.33310594  0.33224821  0.94963599  1.0
  Al  Al18  1  0.34324042  0.54900246  0.25000000  1.0
  Al  Al19  1  0.65998466  0.45131669  0.75000000  1.0
  Al  Al20  1  0.54981347  0.34410044  0.25000000  1.0
  Al  Al21  1  0.44456220  0.65286844  0.75000000  1.0
  Rh  Rh22  1  0.67678374  0.33012513  0.00150236  1.0
  Rh  Rh23  1  0.32567974  0.67083374  0.00310655  1.0
  Rh  Rh24  1  0.32567974  0.67083374  0.49689345  1.0
  Rh  Rh25  1  0.67678374  0.33012513  0.49849764  1.0
  Rh  Rh26  1  0.99727022  0.99790639  0.00315170  1.0
  Rh  Rh27  1  0.99727022  0.99790639  0.49684830  1.0