# generated using pymatgen
data_CaZr3(Al3Rh)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43495191
_cell_length_b   7.42890629
_cell_length_c   9.27785142
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.67565567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZr3(Al3Rh)6
_chemical_formula_sum   'Ca1 Zr3 Al18 Rh6'
_cell_volume   445.23699097
_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  0.32882379  0.00751200  0.75000000  1.0
  Zr  Zr1  1  0.99613465  0.67416019  0.25000000  1.0
  Zr  Zr2  1  0.00733558  0.32944405  0.75000000  1.0
  Zr  Zr3  1  0.66865935  0.99249799  0.25000000  1.0
  Al  Al4  1  0.12183988  0.12302762  0.25000000  1.0
  Al  Al5  1  0.87025284  0.87638542  0.75000000  1.0
  Al  Al6  1  0.99711425  0.33450836  0.07699056  1.0
  Al  Al7  1  0.00014584  0.66313476  0.92764457  1.0
  Al  Al8  1  0.00014584  0.66313476  0.57235543  1.0
  Al  Al9  1  0.33508486  0.99900195  0.42153450  1.0
  Al  Al10  1  0.99711425  0.33450836  0.42300944  1.0
  Al  Al11  1  0.66756843  0.00170567  0.57292840  1.0
  Al  Al12  1  0.66756843  0.00170567  0.92707160  1.0
  Al  Al13  1  0.33508486  0.99900195  0.07846550  1.0
  Al  Al14  1  0.33177075  0.33416838  0.55046790  1.0
  Al  Al15  1  0.66852382  0.66826899  0.44167189  1.0
  Al  Al16  1  0.66852382  0.66826899  0.05832811  1.0
  Al  Al17  1  0.33177075  0.33416838  0.94953210  1.0
  Al  Al18  1  0.33821635  0.55251532  0.25000000  1.0
  Al  Al19  1  0.66939932  0.45207060  0.75000000  1.0
  Al  Al20  1  0.55594575  0.33949409  0.25000000  1.0
  Al  Al21  1  0.44360636  0.65131988  0.75000000  1.0
  Rh  Rh22  1  0.67381332  0.32883221  0.00216984  1.0
  Rh  Rh23  1  0.32817820  0.67262638  0.00321010  1.0
  Rh  Rh24  1  0.32817820  0.67262638  0.49678990  1.0
  Rh  Rh25  1  0.67381332  0.32883221  0.49783016  1.0
  Rh  Rh26  1  0.99769660  0.99853971  0.00252236  1.0
  Rh  Rh27  1  0.99769660  0.99853971  0.49747764  1.0