# generated using pymatgen
data_Ca2CuIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50047768
_cell_length_b   6.50047768
_cell_length_c   6.48700370
_cell_angle_alpha   88.39616213
_cell_angle_beta   88.39616213
_cell_angle_gamma   92.10614302
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CuIrO6
_chemical_formula_sum   'Ca4 Cu2 Ir2 O12'
_cell_volume   273.70814984
_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  0.60068700  0.39931300  0.00000000  1.0
  Ca  Ca1  1  0.40574900  0.59425100  0.50000000  1.0
  Ca  Ca2  1  0.74013300  0.88895300  0.12538500  1.0
  Ca  Ca3  1  0.11104700  0.25986700  0.87461500  1.0
  Cu  Cu4  1  0.83638200  0.16361800  0.50000000  1.0
  Cu  Cu5  1  0.18665300  0.81334700  0.00000000  1.0
  Ir  Ir6  1  0.49751900  0.99970600  0.73797500  1.0
  Ir  Ir7  1  0.00029400  0.50248100  0.26202500  1.0
  O  O8  1  0.88144600  0.21053800  0.20512900  1.0
  O  O9  1  0.78946200  0.11855400  0.79487100  1.0
  O  O10  1  0.10688500  0.78754000  0.28675300  1.0
  O  O11  1  0.21246000  0.89311500  0.71324700  1.0
  O  O12  1  0.02718300  0.38609800  0.54276400  1.0
  O  O13  1  0.61390200  0.97281700  0.45723600  1.0
  O  O14  1  0.97102000  0.60840200  0.96797200  1.0
  O  O15  1  0.39159800  0.02898000  0.03202800  1.0
  O  O16  1  0.70864500  0.57319400  0.30060800  1.0
  O  O17  1  0.42680600  0.29135500  0.69939200  1.0
  O  O18  1  0.27733100  0.43486900  0.17842300  1.0
  O  O19  1  0.56513100  0.72266900  0.82157700  1.0