# generated using pymatgen
data_Ca(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14172263
_cell_length_b   6.14172263
_cell_length_c   14.99450900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000676
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(NiO2)2
_chemical_formula_sum   'Ca6 Ni12 O24'
_cell_volume   489.82759646
_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  0.33333300  0.66666700  0.04680900  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.38591800  1.0
  Ca  Ca2  1  0.66666700  0.33333300  0.33584800  1.0
  Ca  Ca3  1  0.66666700  0.33333300  0.74542300  1.0
  Ca  Ca4  1  0.00000000  0.00000000  0.98937900  1.0
  Ca  Ca5  1  0.00000000  0.00000000  0.62567600  1.0
  Ni  Ni6  1  0.32456000  0.16228000  0.16558900  1.0
  Ni  Ni7  1  0.83772000  0.67544000  0.16558900  1.0
  Ni  Ni8  1  0.99608800  0.49804400  0.51072500  1.0
  Ni  Ni9  1  0.83772000  0.16228000  0.16558900  1.0
  Ni  Ni10  1  0.50195600  0.00391200  0.51072500  1.0
  Ni  Ni11  1  0.33333300  0.66666700  0.66161600  1.0
  Ni  Ni12  1  0.33333300  0.66666700  0.27667400  1.0
  Ni  Ni13  1  0.65452500  0.82726300  0.82703400  1.0
  Ni  Ni14  1  0.50195600  0.49804400  0.51072500  1.0
  Ni  Ni15  1  0.17273700  0.34547500  0.82703400  1.0
  Ni  Ni16  1  0.17273700  0.82726300  0.82703400  1.0
  Ni  Ni17  1  0.66666700  0.33333300  0.95315700  1.0
  O  O18  1  0.71158000  0.85579000  0.10122400  1.0
  O  O19  1  0.00000000  0.00000000  0.24163800  1.0
  O  O20  1  0.14421000  0.28842000  0.10122400  1.0
  O  O21  1  0.14421000  0.85579000  0.10122400  1.0
  O  O22  1  0.36997400  0.18498700  0.45061200  1.0
  O  O23  1  0.51129600  0.48870400  0.22956300  1.0
  O  O24  1  0.66666700  0.33333300  0.58891800  1.0
  O  O25  1  0.51129600  0.02259200  0.22956300  1.0
  O  O26  1  0.66666700  0.33333300  0.07616100  1.0
  O  O27  1  0.81501300  0.63002600  0.45061200  1.0
  O  O28  1  0.81501300  0.18498700  0.45061200  1.0
  O  O29  1  0.97740800  0.48870400  0.22956300  1.0
  O  O30  1  0.06675500  0.53337800  0.73829800  1.0
  O  O31  1  0.19798500  0.80201500  0.57735800  1.0
  O  O32  1  0.19798500  0.39597000  0.57735800  1.0
  O  O33  1  0.33333300  0.66666700  0.89329800  1.0
  O  O34  1  0.33333300  0.66666700  0.41778600  1.0
  O  O35  1  0.46662200  0.93324500  0.73829800  1.0
  O  O36  1  0.46662200  0.53337800  0.73829800  1.0
  O  O37  1  0.60403000  0.80201500  0.57735800  1.0
  O  O38  1  0.82468500  0.17531500  0.89591400  1.0
  O  O39  1  0.82468500  0.64936900  0.89591400  1.0
  O  O40  1  0.00000000  0.00000000  0.77264500  1.0
  O  O41  1  0.35063100  0.17531500  0.89591400  1.0