# generated using pymatgen
data_Ca5Cu2(IrO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53722300
_cell_length_b   6.54819048
_cell_length_c   6.56897264
_cell_angle_alpha   90.75894226
_cell_angle_beta   91.88189633
_cell_angle_gamma   91.11121496
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Cu2(IrO6)2
_chemical_formula_sum   'Ca5 Cu2 Ir2 O12'
_cell_volume   280.96625074
_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  0.41218900  0.24434500  0.60146600  1.0
  Ca  Ca1  1  0.60280900  0.75916900  0.40541200  1.0
  Ca  Ca2  1  0.25601700  0.37936200  0.10515500  1.0
  Ca  Ca3  1  0.74681700  0.61571500  0.88836800  1.0
  Ca  Ca4  1  0.10605100  0.88425200  0.26418000  1.0
  Cu  Cu5  1  0.18603000  0.76090700  0.80727000  1.0
  Cu  Cu6  1  0.81212100  0.24681200  0.18084600  1.0
  Ir  Ir7  1  0.50441100  0.99844300  0.99827800  1.0
  Ir  Ir8  1  0.99835300  0.49108400  0.50236700  1.0
  O  O9  1  0.10430300  0.46889100  0.79066200  1.0
  O  O10  1  0.21753000  0.04487100  0.90941400  1.0
  O  O11  1  0.90391600  0.54491200  0.20886100  1.0
  O  O12  1  0.78706100  0.94892500  0.11411400  1.0
  O  O13  1  0.96768700  0.78091500  0.59433600  1.0
  O  O14  1  0.40303100  0.70899600  0.03435200  1.0
  O  O15  1  0.03593400  0.21151600  0.38530400  1.0
  O  O16  1  0.58520200  0.29617500  0.97192000  1.0
  O  O17  1  0.28508600  0.55976000  0.42445800  1.0
  O  O18  1  0.56268000  0.92486400  0.71705600  1.0
  O  O19  1  0.70789400  0.44925500  0.56889600  1.0
  O  O20  1  0.42514000  0.06313800  0.28721300  1.0