# generated using pymatgen
data_Ca2CoIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82363901
_cell_length_b   7.82599765
_cell_length_c   9.42746865
_cell_angle_alpha   113.49393780
_cell_angle_beta   113.48436066
_cell_angle_gamma   92.16138801
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CoIrO6
_chemical_formula_sum   'Ca8 Co4 Ir4 O24'
_cell_volume   472.07882302
_cell_formula_units_Z   4
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  0.08814900  0.14644200  0.24853400  1.0
  Ca  Ca1  1  0.58626000  0.64621600  0.24859600  1.0
  Ca  Ca2  1  0.60302000  0.16152400  0.24978500  1.0
  Ca  Ca3  1  0.10376000  0.66438300  0.25205100  1.0
  Ca  Ca4  1  0.89838900  0.33772400  0.74932100  1.0
  Ca  Ca5  1  0.39577900  0.83680500  0.74861500  1.0
  Ca  Ca6  1  0.41207600  0.35324700  0.75037000  1.0
  Ca  Ca7  1  0.91264600  0.85229400  0.75176900  1.0
  Co  Co8  1  0.74977400  0.24932200  0.99988400  1.0
  Co  Co9  1  0.49997200  0.50000000  0.50141900  1.0
  Co  Co10  1  0.25000400  0.74916900  0.00001300  1.0
  Co  Co11  1  0.00041600  0.99782300  0.49989300  1.0
  Ir  Ir12  1  0.99858100  0.49875400  0.49886900  1.0
  Ir  Ir13  1  0.50151000  0.00102600  0.50116600  1.0
  Ir  Ir14  1  0.24962000  0.24923000  0.99937800  1.0
  Ir  Ir15  1  0.74932900  0.74873400  0.99932000  1.0
  O  O16  1  0.06049000  0.59035400  0.74451500  1.0
  O  O17  1  0.55777700  0.08754400  0.74371500  1.0
  O  O18  1  0.16173900  0.19356300  0.75624100  1.0
  O  O19  1  0.66079600  0.69369400  0.75581000  1.0
  O  O20  1  0.33976700  0.31080100  0.24449400  1.0
  O  O21  1  0.83907300  0.81113900  0.24429100  1.0
  O  O22  1  0.43836200  0.91075700  0.25588400  1.0
  O  O23  1  0.94219300  0.41189000  0.25544100  1.0
  O  O24  1  0.51713900  0.32371100  0.04722300  1.0
  O  O25  1  0.01747300  0.82301700  0.04735700  1.0
  O  O26  1  0.92694600  0.23350800  0.45317100  1.0
  O  O27  1  0.42519100  0.73333100  0.45245200  1.0
  O  O28  1  0.57609000  0.26741200  0.54802200  1.0
  O  O29  1  0.07302200  0.76675600  0.54744300  1.0
  O  O30  1  0.98283900  0.17517000  0.95230900  1.0
  O  O31  1  0.48220900  0.67529900  0.95252800  1.0
  O  O32  1  0.73533400  0.52398500  0.44730100  1.0
  O  O33  1  0.23577400  0.02586900  0.45008600  1.0
  O  O34  1  0.72522800  0.01558200  0.05309000  1.0
  O  O35  1  0.22459800  0.51375500  0.05283800  1.0
  O  O36  1  0.77352500  0.48328600  0.94540900  1.0
  O  O37  1  0.27557900  0.98637200  0.94829800  1.0
  O  O38  1  0.76530800  0.97485700  0.55034200  1.0
  O  O39  1  0.26426200  0.47565600  0.55275800  1.0