# generated using pymatgen
data_Ca(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07397165
_cell_length_b   7.89939956
_cell_length_c   6.77008610
_cell_angle_alpha   79.16450951
_cell_angle_beta   76.85893440
_cell_angle_gamma   78.78032370
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(NiO2)2
_chemical_formula_sum   'Ca2 Ni4 O8'
_cell_volume   155.24180582
_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  0.34788600  0.16195000  0.15089600  1.0
  Ca  Ca1  1  0.65452900  0.81609400  0.88215000  1.0
  Ni  Ni2  1  0.64018100  0.15620900  0.57156000  1.0
  Ni  Ni3  1  0.13704200  0.52095400  0.21241500  1.0
  Ni  Ni4  1  0.86530400  0.45727400  0.82047400  1.0
  Ni  Ni5  1  0.36206700  0.82196600  0.46155800  1.0
  O  O6  1  0.86642900  0.68575500  0.58846200  1.0
  O  O7  1  0.46198400  0.29346100  0.79074000  1.0
  O  O8  1  0.54037500  0.68454000  0.24241900  1.0
  O  O9  1  0.13577700  0.29236700  0.44469000  1.0
  O  O10  1  0.16076100  0.99369800  0.69248400  1.0
  O  O11  1  0.75358200  0.37475700  0.12587000  1.0
  O  O12  1  0.84173200  0.98428400  0.34045800  1.0
  O  O13  1  0.24866100  0.60349200  0.90726700  1.0