[CIF]
data_Ca2FeIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42333660
_cell_length_b   5.58643100
_cell_length_c   9.45769406
_cell_angle_alpha   90.00000000
_cell_angle_beta   124.93651095
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2FeIrO6
_chemical_formula_sum   'Ca4 Fe2 Ir2 O12'
_cell_volume   234.90234334
_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  0.07281121  2.48783884  1.93095249  1
  Ca  Ca1  1  2.64246418  5.28105434  1.94569538  1
  Ca  Ca2  1  -2.63524999  0.30537666  5.80760037  1
  Ca  Ca3  1  -0.06559702  3.09859216  5.82234326  1
  Fe  Fe4  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe5  1  -2.70806120  2.79321550  3.87664787  1
  Ir  Ir6  1  0.00360710  0.00000000  3.87664787  1
  Ir  Ir7  1  2.71166830  2.79321550  0.00000000  1
  O  O8  1  0.49970039  5.43917827  5.80047121  1
  O  O9  1  -3.20054740  2.64596277  5.82947241  1
  O  O10  1  3.20776159  2.94046824  1.92382334  1
  O  O11  1  -0.49248620  0.14725273  1.95282454  1
  O  O12  1  1.10671381  3.91838695  0.36059222  1
  O  O13  1  1.60856158  1.12517145  3.51605566  1
  O  O14  1  -1.60134739  4.46125955  4.23724009  1
  O  O15  1  -1.09949962  1.66804405  7.39270353  1
  O  O16  1  1.07388331  3.95031340  3.50185937  1
  O  O17  1  1.64139208  1.15709790  0.37478850  1
  O  O18  1  -1.63417789  4.42933310  7.37850725  1
  O  O19  1  -1.06666912  1.63611760  4.25143638  1
[/CIF]
