# generated using pymatgen
data_Ca(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19991052
_cell_length_b   6.19991052
_cell_length_c   14.86091721
_cell_angle_alpha   87.39330425
_cell_angle_beta   87.39330425
_cell_angle_gamma   59.67824567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(NiO2)2
_chemical_formula_sum   'Ca6 Ni12 O24'
_cell_volume   492.41594854
_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  0.84372400  0.84372400  0.95964900  1.0
  Ca  Ca1  1  0.16199500  0.16199500  0.67102800  1.0
  Ca  Ca2  1  0.33534800  0.33534800  0.83310400  1.0
  Ca  Ca3  1  0.83734700  0.83734700  0.32865300  1.0
  Ca  Ca4  1  0.00068100  0.00068100  0.49820800  1.0
  Ca  Ca5  1  0.66193000  0.66193000  0.16589400  1.0
  Ni  Ni6  1  0.82626800  0.34092800  0.83701900  1.0
  Ni  Ni7  1  0.50763300  0.50763300  0.61811900  1.0
  Ni  Ni8  1  0.49967000  0.49967000  0.99756600  1.0
  Ni  Ni9  1  0.34092800  0.82626800  0.83701900  1.0
  Ni  Ni10  1  0.50260000  0.99798100  0.49997900  1.0
  Ni  Ni11  1  0.18021900  0.18021900  0.28961800  1.0
  Ni  Ni12  1  0.99798100  0.50260000  0.49997900  1.0
  Ni  Ni13  1  0.17583200  0.65784800  0.16498400  1.0
  Ni  Ni14  1  0.82207100  0.82207100  0.71174700  1.0
  Ni  Ni15  1  0.65784800  0.17583200  0.16498400  1.0
  Ni  Ni16  1  0.49216400  0.49216400  0.37913200  1.0
  Ni  Ni17  1  0.14944400  0.14944400  0.04236400  1.0
  O  O18  1  0.66072700  0.23510200  0.91943200  1.0
  O  O19  1  0.51654800  0.51654800  0.74570100  1.0
  O  O20  1  0.23510200  0.66072700  0.91943200  1.0
  O  O21  1  0.64226000  0.64226000  0.91281800  1.0
  O  O22  1  0.35527300  0.84020500  0.57618700  1.0
  O  O23  1  0.99042100  0.99042100  0.77346700  1.0
  O  O24  1  0.18809800  0.18809800  0.41827700  1.0
  O  O25  1  0.49151200  0.97353200  0.76415900  1.0
  O  O26  1  0.84020500  0.35527300  0.57618700  1.0
  O  O27  1  0.14671700  0.14671700  0.91102800  1.0
  O  O28  1  0.33892100  0.33892100  0.57493700  1.0
  O  O29  1  0.97353200  0.49151200  0.76415900  1.0
  O  O30  1  0.02581200  0.50353800  0.23866100  1.0
  O  O31  1  0.66400400  0.66400400  0.42756500  1.0
  O  O32  1  0.15458100  0.64386100  0.42368600  1.0
  O  O33  1  0.50353800  0.02581200  0.23866100  1.0
  O  O34  1  0.86049800  0.86049800  0.10710200  1.0
  O  O35  1  0.81319100  0.81319100  0.58041800  1.0
  O  O36  1  0.02342100  0.02342100  0.24358600  1.0
  O  O37  1  0.64386100  0.15458100  0.42368600  1.0
  O  O38  1  0.34685700  0.34685700  0.07070100  1.0
  O  O39  1  0.78405000  0.33200200  0.07574700  1.0
  O  O40  1  0.47338900  0.47338900  0.23966700  1.0
  O  O41  1  0.33200200  0.78405000  0.07574700  1.0