# generated using pymatgen
data_Ca(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09314500
_cell_length_b   6.19648250
_cell_length_c   14.85435992
_cell_angle_alpha   91.91185045
_cell_angle_beta   89.75402756
_cell_angle_gamma   119.26570736
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(NiO2)2
_chemical_formula_sum   'Ca6 Ni12 O24'
_cell_volume   488.93864021
_cell_formula_units_Z   6
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  0.83247500  0.66653900  0.95792600  1.0
  Ca  Ca1  1  0.50244900  0.00011600  0.61339600  1.0
  Ca  Ca2  1  0.50122300  0.00304700  0.00362300  1.0
  Ca  Ca3  1  0.16493000  0.33076900  0.27354400  1.0
  Ca  Ca4  1  0.83140900  0.66345500  0.71688900  1.0
  Ca  Ca5  1  0.50050300  0.00282600  0.36888400  1.0
  Ni  Ni6  1  0.33078700  0.16166600  0.83006700  1.0
  Ni  Ni7  1  0.33378500  0.66927400  0.82757300  1.0
  Ni  Ni8  1  0.00356000  0.50121500  0.49734500  1.0
  Ni  Ni9  1  0.83085300  0.16244200  0.82944400  1.0
  Ni  Ni10  1  0.16621000  0.32745900  0.66390000  1.0
  Ni  Ni11  1  0.00288900  0.00403200  0.49763200  1.0
  Ni  Ni12  1  0.66963200  0.82536900  0.17135200  1.0
  Ni  Ni13  1  0.49878800  0.50009200  0.49710900  1.0
  Ni  Ni14  1  0.15509800  0.82441300  0.17169600  1.0
  Ni  Ni15  1  0.83578100  0.67601400  0.33934300  1.0
  Ni  Ni16  1  0.67220400  0.34564400  0.17224700  1.0
  Ni  Ni17  1  0.16673900  0.33358300  0.04724700  1.0
  O  O18  1  0.64603200  0.29504200  0.89245200  1.0
  O  O19  1  0.49481600  0.99383000  0.75591100  1.0
  O  O20  1  0.19871100  0.85012400  0.89173700  1.0
  O  O21  1  0.65095400  0.84941100  0.88975100  1.0
  O  O22  1  0.02539000  0.46161300  0.76044500  1.0
  O  O23  1  0.31384300  0.61016400  0.57328100  1.0
  O  O24  1  0.43260600  0.45924700  0.75818100  1.0
  O  O25  1  0.16828000  0.33413800  0.92211700  1.0
  O  O26  1  0.89475300  0.18766300  0.57416300  1.0
  O  O27  1  0.17685000  0.36221300  0.42851500  1.0
  O  O28  1  0.02802000  0.05391700  0.76226400  1.0
  O  O29  1  0.29475300  0.17895000  0.57019100  1.0
  O  O30  1  0.70791100  0.82680500  0.42419700  1.0
  O  O31  1  0.96710100  0.93381700  0.26064500  1.0
  O  O32  1  0.11390100  0.81919200  0.42259800  1.0
  O  O33  1  0.82382500  0.63623400  0.56639200  1.0
  O  O34  1  0.82937200  0.65638100  0.10795400  1.0
  O  O35  1  0.56419000  0.54153300  0.26103400  1.0
  O  O36  1  0.69356500  0.39948300  0.41778100  1.0
  O  O37  1  0.96985800  0.53630500  0.26126500  1.0
  O  O38  1  0.32409400  0.17412500  0.10056000  1.0
  O  O39  1  0.50324200  0.00864600  0.22244600  1.0
  O  O40  1  0.84835100  0.17224200  0.09966300  1.0
  O  O41  1  0.33026600  0.66097500  0.09724100  1.0