# generated using pymatgen
data_Ca(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66686620
_cell_length_b   9.80837317
_cell_length_c   6.44793063
_cell_angle_alpha   104.73265815
_cell_angle_beta   63.93201364
_cell_angle_gamma   90.01209205
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(NiO2)4
_chemical_formula_sum   'Ca2 Ni8 O16'
_cell_volume   308.77411742
_cell_formula_units_Z   2
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  0.75000157  0.74999216  0.49999854  1.0
  Ca  Ca1  1  0.25000045  0.25000811  0.49999898  1.0
  Ni  Ni2  1  0.49999092  0.50000436  0.00002522  1.0
  Ni  Ni3  1  -0.00000747  -0.00000252  0.00001315  1.0
  Ni  Ni4  1  0.75000459  0.75000126  -0.00000205  1.0
  Ni  Ni5  1  0.75000383  0.24999757  0.00000046  1.0
  Ni  Ni6  1  -0.00000020  0.50000608  0.00000478  1.0
  Ni  Ni7  1  0.24999687  0.24999683  -0.00000074  1.0
  Ni  Ni8  1  0.24999731  0.75000113  -0.00000376  1.0
  Ni  Ni9  1  0.50000264  0.99999351  -0.00000730  1.0
  O  O10  1  0.08572599  0.63803803  0.82849585  1.0
  O  O11  1  0.58571699  0.13803923  0.82851366  1.0
  O  O12  1  0.41427967  0.86196032  0.17149179  1.0
  O  O13  1  0.91427836  0.36196360  0.17149713  1.0
  O  O14  1  0.35308544  0.88225952  0.82228363  1.0
  O  O15  1  0.85307887  0.38226052  0.82228223  1.0
  O  O16  1  0.91118862  0.85350722  0.17771364  1.0
  O  O17  1  0.41119255  0.35351128  0.17771460  1.0
  O  O18  1  0.14692450  0.61773948  0.17772166  1.0
  O  O19  1  0.64692354  0.11773786  0.17770478  1.0
  O  O20  1  0.67539223  0.61774348  0.17773883  1.0
  O  O21  1  0.17540225  0.11774267  0.17772350  1.0
  O  O22  1  0.82459342  0.88225534  0.82226620  1.0
  O  O23  1  0.32460781  0.38225642  0.82226373  1.0
  O  O24  1  0.58881683  0.64648914  0.82227540  1.0
  O  O25  1  0.08880742  0.14649742  0.82229009  1.0