# generated using pymatgen
data_CaPa(Al3Rh)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54404933
_cell_length_b   7.55902753
_cell_length_c   9.35936705
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.39694770
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPa(Al3Rh)3
_chemical_formula_sum   'Ca2 Pa2 Al18 Rh6'
_cell_volume   465.00188511
_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
  Ca  Ca0  1  0.67097119  0.99157075  0.75000000  1.0
  Ca  Ca1  1  0.32902881  0.00842925  0.25000000  1.0
  Pa  Pa2  1  0.99918616  0.67352043  0.75000000  1.0
  Pa  Pa3  1  0.00081384  0.32647957  0.25000000  1.0
  Al  Al4  1  0.13451341  0.12725267  0.75000000  1.0
  Al  Al5  1  0.86548659  0.87274733  0.25000000  1.0
  Al  Al6  1  0.00083728  0.33211871  0.57837605  1.0
  Al  Al7  1  0.99916272  0.66788129  0.42162395  1.0
  Al  Al8  1  0.99916272  0.66788129  0.07837605  1.0
  Al  Al9  1  0.33985312  0.00464364  0.92659553  1.0
  Al  Al10  1  0.00083728  0.33211871  0.92162395  1.0
  Al  Al11  1  0.66014688  0.99535636  0.07340447  1.0
  Al  Al12  1  0.66014688  0.99535636  0.42659553  1.0
  Al  Al13  1  0.33985312  0.00464364  0.57340447  1.0
  Al  Al14  1  0.33436868  0.33371838  0.04710627  1.0
  Al  Al15  1  0.66563132  0.66628162  0.95289373  1.0
  Al  Al16  1  0.66563132  0.66628162  0.54710627  1.0
  Al  Al17  1  0.33436868  0.33371838  0.45289373  1.0
  Al  Al18  1  0.33850503  0.54689860  0.75000000  1.0
  Al  Al19  1  0.66149497  0.45310140  0.25000000  1.0
  Al  Al20  1  0.55280944  0.34636407  0.75000000  1.0
  Al  Al21  1  0.44719056  0.65363593  0.25000000  1.0
  Rh  Rh22  1  0.67718770  0.33133763  0.49888889  1.0
  Rh  Rh23  1  0.32281230  0.66866237  0.50111111  1.0
  Rh  Rh24  1  0.32281230  0.66866237  0.99888889  1.0
  Rh  Rh25  1  0.67718770  0.33133763  0.00111111  1.0
  Rh  Rh26  1  0.00000000  0.00000000  0.50000000  1.0
  Rh  Rh27  1  0.00000000  0.00000000  0.00000000  1.0