# generated using pymatgen
data_CaCoNi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.21547400
_cell_length_b   6.74010300
_cell_length_c   10.91671915
_cell_angle_alpha   76.70268236
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCoNi2O7
_chemical_formula_sum   'Ca8 Co8 Ni16 O56'
_cell_volume   1017.92901605
_cell_formula_units_Z   8
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  0.50643400  0.90774800  0.73260500  1.0
  Ca  Ca1  1  0.87404600  0.66485300  0.98231300  1.0
  Ca  Ca2  1  0.37404600  0.33514700  0.51768700  1.0
  Ca  Ca3  1  0.12595400  0.33514700  0.01768700  1.0
  Ca  Ca4  1  0.62595400  0.66485300  0.48231300  1.0
  Ca  Ca5  1  0.99356600  0.90774800  0.23260500  1.0
  Ca  Ca6  1  0.49356600  0.09225200  0.26739500  1.0
  Ca  Ca7  1  0.00643400  0.09225200  0.76739500  1.0
  Co  Co8  1  0.67815100  0.37647800  0.08332200  1.0
  Co  Co9  1  0.17815100  0.62352200  0.41667800  1.0
  Co  Co10  1  0.32184900  0.62352200  0.91667800  1.0
  Co  Co11  1  0.82184900  0.37647800  0.58332200  1.0
  Co  Co12  1  0.75522200  0.00983900  0.24234100  1.0
  Co  Co13  1  0.25522200  0.99016100  0.25765900  1.0
  Co  Co14  1  0.24477800  0.99016100  0.75765900  1.0
  Co  Co15  1  0.74477800  0.00983900  0.74234100  1.0
  Ni  Ni16  1  0.86181600  0.16779400  0.97356700  1.0
  Ni  Ni17  1  0.01519800  0.60654800  0.67755600  1.0
  Ni  Ni18  1  0.48480200  0.60654800  0.17755600  1.0
  Ni  Ni19  1  0.98480200  0.39345200  0.32244400  1.0
  Ni  Ni20  1  0.70211600  0.49592100  0.80419200  1.0
  Ni  Ni21  1  0.20211600  0.50407900  0.69580800  1.0
  Ni  Ni22  1  0.29788400  0.50407900  0.19580800  1.0
  Ni  Ni23  1  0.79788400  0.49592100  0.30419200  1.0
  Ni  Ni24  1  0.51519800  0.39345200  0.82244400  1.0
  Ni  Ni25  1  0.14614900  0.11737100  0.47602500  1.0
  Ni  Ni26  1  0.64614900  0.88262900  0.02397500  1.0
  Ni  Ni27  1  0.85385100  0.88262900  0.52397500  1.0
  Ni  Ni28  1  0.36181600  0.83220600  0.52643300  1.0
  Ni  Ni29  1  0.63818400  0.16779400  0.47356700  1.0
  Ni  Ni30  1  0.13818400  0.83220600  0.02643300  1.0
  Ni  Ni31  1  0.35385100  0.11737100  0.97602500  1.0
  O  O32  1  0.98266800  0.23557700  0.95282800  1.0
  O  O33  1  0.48266800  0.76442300  0.54717200  1.0
  O  O34  1  0.01733200  0.76442300  0.04717200  1.0
  O  O35  1  0.51733200  0.23557700  0.45282800  1.0
  O  O36  1  0.83965300  0.99944300  0.86700000  1.0
  O  O37  1  0.33965300  0.00055700  0.63300000  1.0
  O  O38  1  0.16034700  0.00055700  0.13300000  1.0
  O  O39  1  0.66034700  0.99944300  0.36700000  1.0
  O  O40  1  0.84612400  0.98656500  0.12656500  1.0
  O  O41  1  0.34612400  0.01343500  0.37343500  1.0
  O  O42  1  0.15387600  0.01343500  0.87343500  1.0
  O  O43  1  0.65387600  0.98656500  0.62656500  1.0
  O  O44  1  0.28391100  0.35608700  0.92747500  1.0
  O  O45  1  0.78391100  0.64391300  0.57252500  1.0
  O  O46  1  0.71608900  0.64391300  0.07252500  1.0
  O  O47  1  0.21608900  0.35608700  0.42747500  1.0
  O  O48  1  0.35439400  0.02622400  0.14445100  1.0
  O  O49  1  0.85439400  0.97377600  0.35554900  1.0
  O  O50  1  0.64560600  0.97377600  0.85554900  1.0
  O  O51  1  0.14560600  0.02622400  0.64445100  1.0
  O  O52  1  0.33748500  0.91940200  0.88245800  1.0
  O  O53  1  0.42668200  0.61390500  0.83270000  1.0
  O  O54  1  0.83748500  0.08059800  0.61754200  1.0
  O  O55  1  0.16251500  0.91940200  0.38245800  1.0
  O  O56  1  0.47058100  0.27271300  0.70341300  1.0
  O  O57  1  0.97058100  0.72728700  0.79658700  1.0
  O  O58  1  0.52941900  0.72728700  0.29658700  1.0
  O  O59  1  0.02941900  0.27271300  0.20341300  1.0
  O  O60  1  0.47615900  0.19461500  0.95064600  1.0
  O  O61  1  0.97615900  0.80538500  0.54935400  1.0
  O  O62  1  0.52384100  0.80538500  0.04935400  1.0
  O  O63  1  0.02384100  0.19461500  0.45064600  1.0
  O  O64  1  0.91192400  0.57203600  0.20354200  1.0
  O  O65  1  0.41192400  0.42796400  0.29645800  1.0
  O  O66  1  0.08807600  0.42796400  0.79645800  1.0
  O  O67  1  0.58807600  0.57203600  0.70354200  1.0
  O  O68  1  0.76118900  0.29622200  0.21400900  1.0
  O  O69  1  0.26118900  0.70377800  0.28599100  1.0
  O  O70  1  0.23881100  0.70377800  0.78599100  1.0
  O  O71  1  0.73881100  0.29622200  0.71400900  1.0
  O  O72  1  0.71942100  0.38171000  0.46085800  1.0
  O  O73  1  0.21942100  0.61829000  0.03914200  1.0
  O  O74  1  0.28057900  0.61829000  0.53914200  1.0
  O  O75  1  0.78057900  0.38171000  0.96085800  1.0
  O  O76  1  0.72647700  0.73594400  0.27188900  1.0
  O  O77  1  0.22647700  0.26405600  0.22811100  1.0
  O  O78  1  0.27352300  0.26405600  0.72811100  1.0
  O  O79  1  0.77352300  0.73594400  0.77188900  1.0
  O  O80  1  0.88664600  0.45411600  0.42776000  1.0
  O  O81  1  0.38664600  0.54588400  0.07224000  1.0
  O  O82  1  0.11335400  0.54588400  0.57224000  1.0
  O  O83  1  0.61335400  0.45411600  0.92776000  1.0
  O  O84  1  0.07331800  0.61390500  0.33270000  1.0
  O  O85  1  0.57331800  0.38609500  0.16730000  1.0
  O  O86  1  0.92668200  0.38609500  0.66730000  1.0
  O  O87  1  0.66251500  0.08059800  0.11754200  1.0