# generated using pymatgen
data_Ca(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.10834330
_cell_length_b   6.10834330
_cell_length_c   6.10834330
_cell_angle_alpha   118.90148836
_cell_angle_beta   118.73475066
_cell_angle_gamma   92.05962322
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(NiO2)2
_chemical_formula_sum   'Ca2 Ni4 O8'
_cell_volume   163.92324021
_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  0.50000000  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni2  1  0.88926100  0.13926100  0.75000000  1.0
  Ni  Ni3  1  0.11073900  0.86073900  0.25000000  1.0
  Ni  Ni4  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni5  1  0.00000000  0.50000000  0.50000000  1.0
  O  O6  1  0.73801400  0.72778100  0.01023300  1.0
  O  O7  1  0.23262300  0.72371200  0.99108900  1.0
  O  O8  1  0.21754800  0.72778100  0.48976700  1.0
  O  O9  1  0.23262300  0.24153400  0.50891100  1.0
  O  O10  1  0.76737700  0.75846600  0.49108900  1.0
  O  O11  1  0.76737700  0.27628800  0.00891100  1.0
  O  O12  1  0.78245200  0.27221900  0.51023300  1.0
  O  O13  1  0.26198600  0.27221900  0.98976700  1.0