# generated using pymatgen
data_CaY3(HfIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50712217
_cell_length_b   7.08065313
_cell_length_c   8.29255191
_cell_angle_alpha   89.97258671
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY3(HfIr)4
_chemical_formula_sum   'Ca1 Y3 Hf4 Ir4'
_cell_volume   264.64323606
_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  0.25000000  0.98283574  0.32175512  1.0
  Y  Y1  1  0.25000000  0.48383499  0.17784610  1.0
  Y  Y2  1  0.75000000  0.01693685  0.67733821  1.0
  Y  Y3  1  0.75000000  0.51570233  0.82086031  1.0
  Hf  Hf4  1  0.25000000  0.35889764  0.57052676  1.0
  Hf  Hf5  1  0.25000000  0.85823471  0.92729142  1.0
  Hf  Hf6  1  0.75000000  0.64365363  0.43117444  1.0
  Hf  Hf7  1  0.75000000  0.13967160  0.07069401  1.0
  Ir  Ir8  1  0.25000000  0.22611303  0.90362568  1.0
  Ir  Ir9  1  0.25000000  0.72307376  0.60402448  1.0
  Ir  Ir10  1  0.75000000  0.76872357  0.09098509  1.0
  Ir  Ir11  1  0.75000000  0.28232215  0.40387738  1.0