# generated using pymatgen
data_Ca2CuIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63420700
_cell_length_b   5.42089700
_cell_length_c   9.40085613
_cell_angle_alpha   54.93416817
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CuIrO6
_chemical_formula_sum   'Ca4 Cu2 Ir2 O12'
_cell_volume   235.00984261
_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  0.56046700  0.73517700  0.75002000  1.0
  Ca  Ca1  1  0.06046700  0.26482300  0.74998000  1.0
  Ca  Ca2  1  0.93953300  0.73517700  0.25002000  1.0
  Ca  Ca3  1  0.43953300  0.26482300  0.24998000  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu5  1  0.50000000  0.00000000  0.00000000  1.0
  Ir  Ir6  1  0.00000000  0.50000000  0.00000000  1.0
  Ir  Ir7  1  0.50000000  0.50000000  0.50000000  1.0
  O  O8  1  0.03409900  0.15717100  0.24271800  1.0
  O  O9  1  0.30832800  0.74185900  0.55071900  1.0
  O  O10  1  0.29046200  0.36679200  0.94696600  1.0
  O  O11  1  0.79046200  0.63320800  0.55303400  1.0
  O  O12  1  0.80832800  0.25814100  0.94928100  1.0
  O  O13  1  0.53409900  0.84282900  0.25728200  1.0
  O  O14  1  0.46590100  0.15717100  0.74271800  1.0
  O  O15  1  0.19167200  0.74185900  0.05071900  1.0
  O  O16  1  0.20953800  0.36679200  0.44696600  1.0
  O  O17  1  0.69167200  0.25814100  0.44928100  1.0
  O  O18  1  0.70953800  0.63320800  0.05303400  1.0
  O  O19  1  0.96590100  0.84282900  0.75728200  1.0