# generated using pymatgen
data_Ca2CoIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38106767
_cell_length_b   11.15050924
_cell_length_c   7.65725887
_cell_angle_alpha   90.15487685
_cell_angle_beta   90.13953885
_cell_angle_gamma   89.95075824
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CoIrO6
_chemical_formula_sum   'Ca8 Co4 Ir4 O24'
_cell_volume   459.44491838
_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  0.01451700  0.46999300  0.24748700  1.0
  Ca  Ca1  1  0.01587400  0.97156100  0.24709000  1.0
  Ca  Ca2  1  0.48419000  0.22190100  0.25014700  1.0
  Ca  Ca3  1  0.48493600  0.71825200  0.25134700  1.0
  Ca  Ca4  1  0.51430700  0.27966200  0.74786400  1.0
  Ca  Ca5  1  0.51473700  0.77901200  0.75113100  1.0
  Ca  Ca6  1  0.98616200  0.03144900  0.75152300  1.0
  Ca  Ca7  1  0.98503800  0.52794100  0.75174700  1.0
  Co  Co8  1  0.00040400  0.75016400  0.00026700  1.0
  Co  Co9  1  0.50054300  0.49954500  0.49929200  1.0
  Co  Co10  1  0.99964900  0.25022600  0.99944800  1.0
  Co  Co11  1  0.49981300  0.00017100  0.50036800  1.0
  Ir  Ir12  1  0.99817400  0.25243200  0.49934100  1.0
  Ir  Ir13  1  0.00120000  0.74782500  0.50027000  1.0
  Ir  Ir14  1  0.50246200  0.00263800  0.00036400  1.0
  Ir  Ir15  1  0.49868800  0.49720500  0.99938000  1.0
  O  O16  1  0.09616200  0.23710000  0.75120600  1.0
  O  O17  1  0.09754500  0.73235400  0.74486900  1.0
  O  O18  1  0.40386400  0.48381900  0.74823700  1.0
  O  O19  1  0.40477500  0.98722400  0.75436300  1.0
  O  O20  1  0.59666400  0.01642700  0.24689600  1.0
  O  O21  1  0.59562900  0.51226000  0.25099500  1.0
  O  O22  1  0.90257100  0.26628500  0.24774600  1.0
  O  O23  1  0.90203700  0.76391400  0.25613200  1.0
  O  O24  1  0.19865500  0.10369900  0.04772600  1.0
  O  O25  1  0.20547200  0.59636000  0.04759900  1.0
  O  O26  1  0.29969200  0.35251700  0.45288800  1.0
  O  O27  1  0.29437400  0.84569200  0.45177800  1.0
  O  O28  1  0.70633000  0.15456900  0.54692600  1.0
  O  O29  1  0.69897800  0.64693000  0.54889000  1.0
  O  O30  1  0.80019700  0.39667000  0.95237300  1.0
  O  O31  1  0.79778800  0.90424900  0.95165800  1.0
  O  O32  1  0.18980100  0.10621300  0.44870300  1.0
  O  O33  1  0.19938000  0.59909100  0.44850900  1.0
  O  O34  1  0.29936900  0.35006600  0.04855300  1.0
  O  O35  1  0.31143700  0.85638500  0.05067200  1.0
  O  O36  1  0.70005100  0.15121800  0.94991500  1.0
  O  O37  1  0.68945500  0.64292300  0.95157300  1.0
  O  O38  1  0.79918900  0.40109500  0.55007500  1.0
  O  O39  1  0.80989400  0.89296100  0.55465000  1.0