# generated using pymatgen
data_Ca(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17965926
_cell_length_b   6.14279343
_cell_length_c   24.05012283
_cell_angle_alpha   59.28069288
_cell_angle_beta   61.37730693
_cell_angle_gamma   60.19713936
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(NiO2)2
_chemical_formula_sum   'Ca8 Ni16 O32'
_cell_volume   649.28392970
_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  0.16425300  0.11798600  0.02494400  1.0
  Ca  Ca1  1  0.99452400  0.50173200  0.12550300  1.0
  Ca  Ca2  1  0.14492800  0.10789700  0.28481900  1.0
  Ca  Ca3  1  0.00703600  0.49553300  0.37547400  1.0
  Ca  Ca4  1  0.99780900  0.49863600  0.62623000  1.0
  Ca  Ca5  1  0.49784000  0.50678500  0.49714800  1.0
  Ca  Ca6  1  0.98681200  0.50502300  0.87578500  1.0
  Ca  Ca7  1  0.50147700  0.49288000  0.75319000  1.0
  Ni  Ni8  1  0.50142800  0.49565800  0.12442100  1.0
  Ni  Ni9  1  0.50086900  0.50154400  0.24901100  1.0
  Ni  Ni10  1  0.50142800  0.00523000  0.12442100  1.0
  Ni  Ni11  1  0.13314000  0.11079500  0.53631700  1.0
  Ni  Ni12  1  0.50592000  0.49122200  0.37290300  1.0
  Ni  Ni13  1  0.84325600  0.88920000  0.21958600  1.0
  Ni  Ni14  1  0.14967600  0.11123700  0.78196300  1.0
  Ni  Ni15  1  0.50592000  0.01124700  0.37290300  1.0
  Ni  Ni16  1  0.49935200  0.50159500  0.62513800  1.0
  Ni  Ni17  1  0.85708400  0.88801900  0.46671900  1.0
  Ni  Ni18  1  0.49935200  0.99849900  0.62513800  1.0
  Ni  Ni19  1  0.49973600  0.98925300  0.87553500  1.0
  Ni  Ni20  1  0.49973600  0.50887000  0.87553500  1.0
  Ni  Ni21  1  0.86534700  0.88692900  0.71519900  1.0
  Ni  Ni22  1  0.49921600  0.49393500  0.00322900  1.0
  Ni  Ni23  1  0.83078000  0.89013200  0.97223900  1.0
  O  O24  1  0.31422700  0.25673100  0.06161700  1.0
  O  O25  1  0.32378000  0.24163200  0.17323900  1.0
  O  O26  1  0.31422700  0.68257500  0.06161700  1.0
  O  O27  1  0.72280400  0.27142200  0.05858800  1.0
  O  O28  1  0.23639500  0.75812000  0.18684100  1.0
  O  O29  1  0.31946900  0.25845100  0.31011700  1.0
  O  O30  1  0.69594800  0.28854000  0.18951800  1.0
  O  O31  1  0.27633700  0.22909100  0.44136900  1.0
  O  O32  1  0.31946900  0.68161300  0.31011700  1.0
  O  O33  1  0.68044100  0.76356500  0.07310700  1.0
  O  O34  1  0.70232600  0.25701100  0.32091300  1.0
  O  O35  1  0.69594800  0.75744000  0.18951800  1.0
  O  O36  1  0.27242300  0.22035200  0.56801100  1.0
  O  O37  1  0.26068800  0.78118100  0.41923700  1.0
  O  O38  1  0.73036500  0.26942200  0.42809500  1.0
  O  O39  1  0.29555600  0.23178700  0.68521800  1.0
  O  O40  1  0.27242300  0.73517800  0.56801100  1.0
  O  O41  1  0.70865900  0.76453700  0.31556700  1.0
  O  O42  1  0.76181700  0.23497500  0.56705800  1.0
  O  O43  1  0.73036500  0.78783500  0.42809500  1.0
  O  O44  1  0.24550200  0.76500000  0.68112400  1.0
  O  O45  1  0.26686100  0.21255100  0.82062800  1.0
  O  O46  1  0.72224900  0.26688600  0.68237400  1.0
  O  O47  1  0.33129700  0.25145700  0.91644700  1.0
  O  O48  1  0.26686100  0.73807300  0.82062800  1.0
  O  O49  1  0.70555100  0.76736800  0.56492800  1.0
  O  O50  1  0.78976100  0.22303600  0.81604200  1.0
  O  O51  1  0.72224900  0.78137200  0.68237400  1.0
  O  O52  1  0.26170200  0.72154500  0.94880200  1.0
  O  O53  1  0.69004300  0.28881400  0.94400900  1.0
  O  O54  1  0.68729500  0.76749700  0.81942800  1.0
  O  O55  1  0.69004300  0.74510500  0.94400900  1.0