# generated using pymatgen
data_Ca(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96803761
_cell_length_b   8.88645395
_cell_length_c   10.33947394
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(NiO2)2
_chemical_formula_sum   'Ca4 Ni8 O16'
_cell_volume   272.70703247
_cell_formula_units_Z   4
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  0.25000000  0.24268208  0.33985752  1.0
  Ca  Ca1  1  0.75000000  0.75731792  0.66014248  1.0
  Ca  Ca2  1  0.25000000  0.74268208  0.16014248  1.0
  Ca  Ca3  1  0.75000000  0.25731792  0.83985752  1.0
  Ni  Ni4  1  0.75000000  0.41670660  0.10011826  1.0
  Ni  Ni5  1  0.25000000  0.08329340  0.60011826  1.0
  Ni  Ni6  1  0.75000000  0.91670660  0.39988174  1.0
  Ni  Ni7  1  0.25000000  0.58329340  0.89988174  1.0
  Ni  Ni8  1  0.25000000  0.56030290  0.38767236  1.0
  Ni  Ni9  1  0.75000000  0.43969710  0.61232764  1.0
  Ni  Ni10  1  0.25000000  0.06030290  0.11232764  1.0
  Ni  Ni11  1  0.75000000  0.93969710  0.88767236  1.0
  O  O12  1  0.75000000  0.92008988  0.07358607  1.0
  O  O13  1  0.25000000  0.07991012  0.92641393  1.0
  O  O14  1  0.75000000  0.42008988  0.42641393  1.0
  O  O15  1  0.25000000  0.57991012  0.57358607  1.0
  O  O16  1  0.75000000  0.02649913  0.71329223  1.0
  O  O17  1  0.25000000  0.97350087  0.28670777  1.0
  O  O18  1  0.75000000  0.52649913  0.78670777  1.0
  O  O19  1  0.25000000  0.47350087  0.21329223  1.0
  O  O20  1  0.75000000  0.61382064  0.02232909  1.0
  O  O21  1  0.25000000  0.38617936  0.97767091  1.0
  O  O22  1  0.75000000  0.11382064  0.47767091  1.0
  O  O23  1  0.25000000  0.88617936  0.52232909  1.0
  O  O24  1  0.25000000  0.79327021  0.84302044  1.0
  O  O25  1  0.75000000  0.20672979  0.15697956  1.0
  O  O26  1  0.75000000  0.70672979  0.34302044  1.0
  O  O27  1  0.25000000  0.29327021  0.65697956  1.0