# generated using pymatgen
data_CaHf3(Al3Rh)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41838170
_cell_length_b   7.41245116
_cell_length_c   9.23549919
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.68497708
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHf3(Al3Rh)6
_chemical_formula_sum   'Ca1 Hf3 Al18 Rh6'
_cell_volume   441.19634714
_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  0.32872898  0.00746046  0.25000000  1.0
  Hf  Hf1  1  0.99612707  0.67476276  0.75000000  1.0
  Hf  Hf2  1  0.00686162  0.32882642  0.25000000  1.0
  Hf  Hf3  1  0.66933069  0.99257053  0.75000000  1.0
  Al  Al4  1  0.12209039  0.12335098  0.75000000  1.0
  Al  Al5  1  0.87002289  0.87632683  0.25000000  1.0
  Al  Al6  1  0.99676583  0.33464699  0.57840359  1.0
  Al  Al7  1  0.00014113  0.66279886  0.42730705  1.0
  Al  Al8  1  0.00014113  0.66279886  0.07269295  1.0
  Al  Al9  1  0.33527686  0.99868024  0.91985927  1.0
  Al  Al10  1  0.99676583  0.33464699  0.92159641  1.0
  Al  Al11  1  0.66776846  0.00205271  0.07321785  1.0
  Al  Al12  1  0.66776846  0.00205271  0.42678215  1.0
  Al  Al13  1  0.33527686  0.99868024  0.58014073  1.0
  Al  Al14  1  0.33137537  0.33409016  0.05138363  1.0
  Al  Al15  1  0.66871777  0.66852089  0.93918253  1.0
  Al  Al16  1  0.66871777  0.66852089  0.56081747  1.0
  Al  Al17  1  0.33137537  0.33409016  0.44861637  1.0
  Al  Al18  1  0.33810646  0.55259548  0.75000000  1.0
  Al  Al19  1  0.66970792  0.45221945  0.25000000  1.0
  Al  Al20  1  0.55650452  0.33925389  0.75000000  1.0
  Al  Al21  1  0.44334394  0.65113531  0.25000000  1.0
  Rh  Rh22  1  0.67453819  0.32865576  0.50255351  1.0
  Rh  Rh23  1  0.32786630  0.67314906  0.50371169  1.0
  Rh  Rh24  1  0.32786630  0.67314906  0.99628831  1.0
  Rh  Rh25  1  0.67453819  0.32865576  0.99744649  1.0
  Rh  Rh26  1  0.99713635  0.99815279  0.50312264  1.0
  Rh  Rh27  1  0.99713635  0.99815279  0.99687736  1.0