# generated using pymatgen
data_Ca15Ni(IrO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58562112
_cell_length_b   6.58562112
_cell_length_c   13.13473784
_cell_angle_alpha   89.04954201
_cell_angle_beta   89.04954201
_cell_angle_gamma   90.89284993
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca15Ni(IrO6)4
_chemical_formula_sum   'Ca15 Ni1 Ir4 O24'
_cell_volume   569.43051153
_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  0.10448300  0.89551700  0.00000000  1.0
  Ca  Ca1  1  0.11136600  0.88863400  0.50000000  1.0
  Ca  Ca2  1  0.74756400  0.60202300  0.17733000  1.0
  Ca  Ca3  1  0.75174100  0.61357100  0.67998700  1.0
  Ca  Ca4  1  0.38642900  0.24825900  0.32001300  1.0
  Ca  Ca5  1  0.39797700  0.25243600  0.82267000  1.0
  Ca  Ca6  1  0.25122600  0.38649500  0.06695200  1.0
  Ca  Ca7  1  0.24999300  0.38794900  0.57036200  1.0
  Ca  Ca8  1  0.61350500  0.74877400  0.93304800  1.0
  Ca  Ca9  1  0.61205100  0.75000700  0.42963800  1.0
  Ca  Ca10  1  0.88849400  0.11499200  0.24524900  1.0
  Ca  Ca11  1  0.88500800  0.11150600  0.75475100  1.0
  Ca  Ca12  1  0.75009100  0.24990900  0.50000000  1.0
  Ca  Ca13  1  0.25065400  0.75088200  0.24978800  1.0
  Ca  Ca14  1  0.24911800  0.74934600  0.75021200  1.0
  Ni  Ni15  1  0.74986800  0.25013200  0.00000000  1.0
  Ir  Ir16  1  0.50199000  0.00128600  0.12333800  1.0
  Ir  Ir17  1  0.49967800  0.00037700  0.62574000  1.0
  Ir  Ir18  1  0.99871400  0.49801000  0.87666200  1.0
  Ir  Ir19  1  0.99962300  0.50032200  0.37426000  1.0
  O  O20  1  0.79682200  0.96091800  0.08173800  1.0
  O  O21  1  0.79626900  0.94444000  0.58927000  1.0
  O  O22  1  0.58487500  0.29624300  0.14122500  1.0
  O  O23  1  0.57456800  0.29791400  0.65552100  1.0
  O  O24  1  0.45767100  0.08183300  0.97637300  1.0
  O  O25  1  0.44413400  0.07387400  0.47705200  1.0
  O  O26  1  0.07475800  0.44477200  0.22655100  1.0
  O  O27  1  0.07015400  0.44384400  0.72767500  1.0
  O  O28  1  0.29647700  0.57301100  0.90223600  1.0
  O  O29  1  0.29634800  0.57156200  0.40318400  1.0
  O  O30  1  0.94418700  0.79700200  0.33851600  1.0
  O  O31  1  0.94502500  0.79544700  0.83900000  1.0
  O  O32  1  0.20455300  0.05497500  0.16100000  1.0
  O  O33  1  0.20299800  0.05581300  0.66148400  1.0
  O  O34  1  0.42698900  0.70352300  0.09776400  1.0
  O  O35  1  0.42843800  0.70365200  0.59681600  1.0
  O  O36  1  0.55615600  0.92984600  0.27232500  1.0
  O  O37  1  0.55522800  0.92524200  0.77344900  1.0
  O  O38  1  0.91816700  0.54232900  0.02362700  1.0
  O  O39  1  0.92612600  0.55586600  0.52294800  1.0
  O  O40  1  0.70208600  0.42543200  0.34447900  1.0
  O  O41  1  0.70375700  0.41512500  0.85877500  1.0
  O  O42  1  0.03908200  0.20317800  0.91826200  1.0
  O  O43  1  0.05556000  0.20373100  0.41073000  1.0